methyl 2-(phenylcarbamamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(phenylcarbamamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-(phenylcarbamamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y203-7735 |
| Compound Name: | methyl 2-(phenylcarbamamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1177 |
| logD: | 3.8771 |
| logSw: | -5.0644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.761 |
| InChI Key: | FLGBAPKSXVYEOA-UHFFFAOYSA-N |