Cas no 1237750-46-7 (N-(4-methyl-3-((4-(methylamino)-2-(methylthio)pyrimidin-5-yl)methylamino)phenyl)-3-(trifluoromethyl)benzamide)
1237750-46-7 structure
Product Name:N-(4-methyl-3-((4-(methylamino)-2-(methylthio)pyrimidin-5-yl)methylamino)phenyl)-3-(trifluoromethyl)benzamide
CAS No:1237750-46-7
MF:C22H22F3N5OS
MW:461.503193378448
CID:6641528
Update Time:2024-01-29
N-(4-methyl-3-((4-(methylamino)-2-(methylthio)pyrimidin-5-yl)methylamino)phenyl)-3-(trifluoromethyl)benzamide Chemical and Physical Properties
Names and Identifiers
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- N-(4-methyl-3-((4-(methylamino)-2-(methylthio)pyrimidin-5-yl)methylamino)phenyl)-3-(trifluoromethyl)benzamide
- Benzamide, N-[4-methyl-3-[[[4-(methylamino)-2-(methylthio)-5-pyrimidinyl]methyl]amino]phenyl]-3-(trifluoromethyl)-
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- Inchi： 1S/C22H22F3N5OS/c1-13-7-8-17(29-20(31)14-5-4-6-16(9-14)22(23,24)25)10-18(13)27-11-15-12-28-21(32-3)30-19(15)26-2/h4-10,12,27H,11H2,1-3H3,(H,29,31)(H,26,28,30)
- InChI Key： WGFOBTRVTKLOLG-UHFFFAOYSA-N
- SMILES： C(NC1=CC=C(C)C(NCC2=CN=C(SC)N=C2NC)=C1)(=O)C1=CC=CC(C(F)(F)F)=C1
Experimental Properties
- Density: 1.35±0.1 g/cm3(Predicted)
- Boiling Point: 561.4±50.0 °C(Predicted)
- pka: 12.87±0.70(Predicted)
N-(4-methyl-3-((4-(methylamino)-2-(methylthio)pyrimidin-5-yl)methylamino)phenyl)-3-(trifluoromethyl)benzamide Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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