N-(4-chlorophenyl)-2-(2,2-dimethylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-(2,2-dimethylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N-(4-chlorophenyl)-2-(2,2-dimethylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3261-0327 |
| Compound Name: | N-(4-chlorophenyl)-2-(2,2-dimethylpropanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 404.96 |
| Molecular Formula: | C21 H25 Cl N2 O2 S |
| Smiles: | CC(C)(C)C(Nc1c(C(Nc2ccc(cc2)[Cl])=O)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7235 |
| logD: | 5.3882 |
| logSw: | -6.1099 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.738 |
| InChI Key: | QIODMAPWIDSCMO-UHFFFAOYSA-N |