methyl 2-[(thiophene-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(thiophene-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(thiophene-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0206 |
| Compound Name: | methyl 2-[(thiophene-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 349.47 |
| Molecular Formula: | C17 H19 N O3 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6616 |
| logD: | 1.924 |
| logSw: | -4.5419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.568 |
| InChI Key: | FPZDDVJEOHDUAH-UHFFFAOYSA-N |