N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-[(2-phenylethyl)amino]cyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-[(2-phenylethyl)amino]cyclohex-1-ene-1-carbothioamide
N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-[(2-phenylethyl)amino]cyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0043 |
| Compound Name: | N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-[(2-phenylethyl)amino]cyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H25 F N2 O S |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(Nc1ccc(cc1)F)=S)NCCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6651 |
| logD: | 4.0227 |
| logSw: | -4.4638 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.045 |
| InChI Key: | XLNUBDYTLRJJLK-UHFFFAOYSA-N |