1111237-69-4 ((4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide)

CAS号:
1111237-69-4
英文名称:
4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
分子式:
C28H27N5O3S
分子量:
513.610684633255

4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide(1111237-69-4)名称与标识符

名称

英文别名:
4,5-Dihydro-1-[[(3-methoxyphenyl)methyl]thio]-N-(1-methylethyl)-5-oxo-4-(phenylmethyl)[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide;4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide;

标识符

InChIKey:
OEJYYEGITVCYLG-UHFFFAOYSA-N
Inchi:
1S/C28H27N5O3S/c1-18(2)29-25(34)21-12-13-23-24(15-21)33-27(32(26(23)35)16-19-8-5-4-6-9-19)30-31-28(33)37-17-20-10-7-11-22(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,29,34)
SMILES:
N12C(SCC3=CC=CC(OC)=C3)=NN=C1N(CC1=CC=CC=C1)C(=O)C1=C2C=C(C(NC(C)C)=O)C=C1

4-benzyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide(1111237-69-4)物化性质

实验特性

  • 酸度系数(pKa) : 14.27±0.20(Predicted)
  • 密度 : 1.32±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)