Cas no 839708-52-0 (Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-)
![Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/840000/839708-52-0x500.png)
839708-52-0 structure
Product Name:Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-
CAS No:839708-52-0
MF:C22H17ClF3N5O2
MW:475.850893735886
CID:6641524
Update Time:2024-01-29
Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-
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- Inchi： 1S/C22H17ClF3N5O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(24,25)26)9-17(12)31-11-14-10-27-20(23)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)
- InChI Key： UTMCQPQEMULBJK-UHFFFAOYSA-N
- SMILES： C(NC1=CC=C(C)C(N2C(=O)N(C)C3=NC(Cl)=NC=C3C2)=C1)(=O)C1=CC=CC(C(F)(F)F)=C1
Experimental Properties
- Density: 1.459±0.06 g/cm3(Predicted)
- Boiling Point: 560.7±50.0 °C(Predicted)
- pka: 12.81±0.70(Predicted)
Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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