tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-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-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-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: | 4157-0426 |
| Compound Name: | tetramethyl 6'-[(3-chlorophenyl)carbamoyl]-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| Molecular Weight: | 703.21 |
| Molecular Formula: | C31 H27 Cl N2 O9 S3 |
| Smiles: | CC1(C)C2=C(c3ccccc3N1C(Nc1cccc(c1)[Cl])=O)C1(C(=C(C(=O)OC)S2)C(=O)OC)SC(=C(C(=O)OC)S1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5267 |
| logD: | 6.5267 |
| logSw: | -6.1321 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.871 |
| InChI Key: | IPOOHJBDQXFHGN-UHFFFAOYSA-N |