tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
Compound ID: | 8009-6347 |
Compound Name: | tetramethyl 6'-{[(1,3-benzothiazol-2-yl)oxy]acetyl}-5',5',8',9'-tetramethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
Molecular Weight: | 768.9 |
Molecular Formula: | C35 H32 N2 O10 S4 |
Smiles: | Cc1cc2C3=C(C(C)(C)N(C(COc4nc5ccccc5s4)=O)c2cc1C)SC(=C(C(=O)OC)C31SC(=C(C(=O)OC)S1)C(=O)OC)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 7.1357 |
logD: | 7.1357 |
logSw: | -5.7206 |
Hydrogen bond acceptors count: | 19 |
Polar surface area: | 117.532 |
InChI Key: | JMSOLVLHZYCDFF-UHFFFAOYSA-N |