HIT ID: HIT100208014

Cas No: 328069-91-6

分子式: C31H30N2O12S3

分子量: 718.76

常用名: 2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate, MT477

氢键受体数 (HBA): 14

氢键供体数 (HBD): 0

LogP: 3.529000000000000e+000

IUPAC: 2',3',4,5-tetramethyl 6'-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-7'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

SMILES: COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2c2cccc(OC)c2N(C(=O)CN2C(=O)CCC2=O)C1(C)C)C(=O)OC)C(=O)OC |c:14,17,t:4|

InChI key: AQFSTZWCFIWEMA-UHFFFAOYSA-N