HIT ID: HIT100189896

Cas No: 1338190-14-9

分子式: C28H40N4O5S

分子量: 544.71

常用名: 2-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzenesulfonate, F44-A13

氢键受体数 (HBA): 9

氢键供体数 (HBD): 2

LogP: 4.8415

IUPAC: 2-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate

SMILES: CCN(CC)c1ccc(CN(CC2CC2)C(=O)NC(C)(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1

InChI key: ARHQGFNNEONRES-UHFFFAOYSA-N