methyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-8367 |
| Compound Name: | methyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C31 H33 N3 O3 S2 |
| Smiles: | Cc1c2cc(ccc2n(Cc2ccccc2)c1C)C(NC(Nc1c(C(=O)OC)c2CCCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7621 |
| logD: | 5.9486 |
| logSw: | -5.7273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.66 |
| InChI Key: | VNHLCLVZVLAVFZ-UHFFFAOYSA-N |