ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3261-1085 |
| Compound Name: | ethyl 2-[(phenylcarbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 374.52 |
| Molecular Formula: | C19 H22 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(Nc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2875 |
| logD: | 4.8906 |
| logSw: | -5.2406 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.861 |
| InChI Key: | KDFGYUFFWXLHOI-UHFFFAOYSA-N |