Cas no 1237750-47-8 (N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide)
![N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide structure](https://ossimg.kuujia.com/scimg/1238000/1237750-47-8x500.png)
1237750-47-8 structure
Product Name:N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CAS No:1237750-47-8
MF:C23H20F3N5O2S
MW:487.497413635254
CID:6641526
Update Time:2024-01-29
N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide Chemical and Physical Properties
Names and Identifiers
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- N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
- Benzamide, N-[3-[1,4-dihydro-1-methyl-7-(methylthio)-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl]-3-(trifluoromethyl)-
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- Inchi： 1S/C23H20F3N5O2S/c1-13-7-8-17(28-20(32)14-5-4-6-16(9-14)23(24,25)26)10-18(13)31-12-15-11-27-21(34-3)29-19(15)30(2)22(31)33/h4-11H,12H2,1-3H3,(H,28,32)
- InChI Key： BPEFRCXXEYOGRF-UHFFFAOYSA-N
- SMILES： C(NC1=CC=C(C)C(N2C(=O)N(C)C3=NC(SC)=NC=C3C2)=C1)(=O)C1=CC=CC(C(F)(F)F)=C1
Experimental Properties
- Density: 1.47±0.1 g/cm3(Predicted)
- Boiling Point: 563.5±50.0 °C(Predicted)
- pka: 12.82±0.70(Predicted)
N-(4-methyl-3-(1-methyl-7-(methylthio)-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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