HIT ID: HIT100189896
Cas No: 1338190-14-9
分子式: C28H40N4O5S
分子量: 544.71
常用名: 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
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
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
