HIT ID: HIT100265580

Cas No: 899937-47-4

分子式: C28H25ClN4O6

分子量: 548.98

常用名: N-(2H-1,3-benzodioxol-5-ylmethyl)-4-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxoquinazolin-3-yl)butanamide, WRX606

氢键受体数 (HBA): 10

氢键供体数 (HBD): 2

LogP: 3.331

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

SMILES: Clc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc4OCOc4c3)c2=O)c1

InChI key: AVCWUERYLDROHZ-UHFFFAOYSA-N