propyl 2-(3,3-diphenylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-(3,3-diphenylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-(3,3-diphenylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-2259 |
| Compound Name: | propyl 2-(3,3-diphenylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 461.62 |
| Molecular Formula: | C28 H31 N O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(CC(c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9403 |
| logD: | 3.6037 |
| logSw: | -5.8005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.938 |
| InChI Key: | KEDPHQUXJHNSPC-UHFFFAOYSA-N |