methyl 2-(2,4-dimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2,4-dimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-(2,4-dimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6048-0124 |
| Compound Name: | methyl 2-(2,4-dimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C21 H25 N O5 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7736 |
| logD: | 0.1602 |
| logSw: | -4.6685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | FLHMDFKXWQIQNF-UHFFFAOYSA-N |