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)-)

CAS号:
839708-52-0
英文名称:
Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-
分子式:
C22H17ClF3N5O2
分子量:
475.850893735886

Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-(839708-52-0)名称与标识符

名称

英文别名:
Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-;

标识符

InChIKey:
UTMCQPQEMULBJK-UHFFFAOYSA-N
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)
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

Benzamide, N-[3-(7-chloro-1,4-dihydro-1-methyl-2-oxopyrimido[4,5-d]pyrimidin-3(2H)-yl)-4-methylphenyl]-3-(trifluoromethyl)-(839708-52-0)物化性质

实验特性

  • 沸点 : 560.7±50.0 °C(Predicted)
  • 酸度系数(pKa) : 12.81±0.70(Predicted)
  • 密度 : 1.459±0.06 g/cm3(Predicted)