ethyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-3591 |
| Compound Name: | ethyl 2-(3,4-dimethoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C21 H25 N O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2597 |
| logD: | 1.5358 |
| logSw: | -4.4635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.39 |
| InChI Key: | PJKWJAUJEHKTAW-UHFFFAOYSA-N |