propan-2-yl 2-[2-(4-chlorophenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-(4-chlorophenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-[2-(4-chlorophenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9050 |
| Compound Name: | propan-2-yl 2-[2-(4-chlorophenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 405.94 |
| Molecular Formula: | C21 H24 Cl N O3 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6024 |
| logD: | 2.8526 |
| logSw: | -6.1016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.595 |
| InChI Key: | HVGWSMDREVWNLT-UHFFFAOYSA-N |