HIT ID: HIT212658044
Cas No: 1103926-82-4
分子式: C28H27ClN3NaO5
分子量: 543.98
常用名: TM5275 sodium
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 1.7254063
IUPAC: sodium 5-chloro-2-(2-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethoxy}acetamido)benzoate
IUPAC: sodium 5-chloro-2-(2-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethoxy}acetamido)benzoate
SMILES: [Na+].[O-]C(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
SMILES: [Na+].[O-]C(=O)c1cc(Cl)ccc1NC(=O)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI key: JSHSGBIWNPQCQZ-UHFFFAOYSA-M