tetramethyl 6'-(3-chloro-1-benzothiophene-2-carbonyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Chemical Structure Depiction of
tetramethyl 6'-(3-chloro-1-benzothiophene-2-carbonyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-(3-chloro-1-benzothiophene-2-carbonyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Compound characteristics
| Compound ID: | 8010-2492 |
| Compound Name: | tetramethyl 6'-(3-chloro-1-benzothiophene-2-carbonyl)-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 744.28 |
| Molecular Formula: | C33 H26 Cl N O9 S4 |
| Smiles: | CC1(C)C2=C(c3ccccc3N1C(c1c(c3ccccc3s1)[Cl])=O)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.2758 |
| logD: | 7.2758 |
| logSw: | -6.4117 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 99.797 |
| InChI Key: | ZKMZQDNVPDPVLU-UHFFFAOYSA-N |