propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0345 |
| Compound Name: | propan-2-yl 2-[2-(4-chloro-2-methylphenoxy)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 450 |
| Molecular Formula: | C23 H28 Cl N O4 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(C(C)Oc1ccc(cc1C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9921 |
| logD: | 4.5594 |
| logSw: | -6.5069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.684 |
| InChI Key: | VZGGWBVHDFDVAZ-HNNXBMFYSA-N |