propan-2-yl 2-(4-methoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(4-methoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-(4-methoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0374 |
| Compound Name: | propan-2-yl 2-(4-methoxybenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1281 |
| logD: | 1.797 |
| logSw: | -4.9886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.352 |
| InChI Key: | OEJSYAGKOLPAPQ-UHFFFAOYSA-N |