ethyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3261-0783 |
| Compound Name: | ethyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C20 H23 N O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0588 |
| logD: | 1.3236 |
| logSw: | -4.6821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.129 |
| InChI Key: | YTUBZBOVGOBCNW-UHFFFAOYSA-N |