methyl 2-[(pyridine-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(pyridine-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(pyridine-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0129 |
| Compound Name: | methyl 2-[(pyridine-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.561 |
| logD: | -0.414 |
| logSw: | -3.748 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.067 |
| InChI Key: | VWNYVRNKYYUNFN-UHFFFAOYSA-N |