methyl 2-{[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1673 |
| Compound Name: | methyl 2-{[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | Cc1ccc(c2cc(C(Nc3c(C(=O)OC)c4CCCCCCc4s3)=O)c3ccccc3n2)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.7654 |
| logD: | 4.8032 |
| logSw: | -5.8704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.701 |
| InChI Key: | WVSCOZQTDUIPPU-UHFFFAOYSA-N |