HIT ID: HIT100117501
Cas No: 955918-74-8
分子式: C26H22ClNO6
分子量: 479.91
常用名: Targocil-II
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.021000000000000e+000
IUPAC: (2S)-1-{2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}pyrrolidine-2-carboxylic acid
IUPAC: (2S)-1-{2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}pyrrolidine-2-carboxylic acid
SMILES: Cc1c(CC(=O)N2CCC[C@H]2C(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
SMILES: Cc1c(CC(=O)N2CCC[C@H]2C(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
InChI key: AKQCCBGXRNNPLS-NRFANRHFSA-N
