2-{[(4-chlorophenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
2-{[(4-chlorophenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 4038-0086 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 398.95 |
| Molecular Formula: | C22 H23 Cl N2 O S |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(Nc1ccccc1)=S)NCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8864 |
| logD: | 4.8735 |
| logSw: | -4.9122 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.204 |
| InChI Key: | ASZHVYVOEVMMKH-UHFFFAOYSA-N |