112810-36-3 ((Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, 2-(benzoyloxy)ethyl ester)

CAS号:
112810-36-3
英文名称:
Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, 2-(benzoyloxy)ethyl ester
分子式:
C23H22N4O9S
分子量:
530.507184505463

Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, 2-(benzoyloxy)ethyl ester(112810-36-3)名称与标识符

名称

英文别名:
Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, 2-(benzoyloxy)ethyl ester;

标识符

InChIKey:
NNYJHGPOQUQOKC-UHFFFAOYSA-N
Inchi:
1S/C23H22N4O9S/c1-33-18-14-19(34-2)25-22(24-18)26-23(30)27-37(31,32)17-11-7-6-10-16(17)21(29)36-13-12-35-20(28)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,24,25,26,27,30)
SMILES:
C(OCCOC(=O)C1=CC=CC=C1)(=O)C1=CC=CC=C1S(NC(NC1=NC(OC)=CC(OC)=N1)=O)(=O)=O

Benzoic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, 2-(benzoyloxy)ethyl ester(112810-36-3)物化性质

实验特性

  • 酸度系数(pKa) : 12.53±0.70(Predicted)
  • 密度 : 1.425±0.06 g/cm3(Predicted)