2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0042 |
| Compound Name: | 2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H23 F N2 O S |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(Nc1ccc(cc1)F)=S)NCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5125 |
| logD: | 4.054 |
| logSw: | -4.3828 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.204 |
| InChI Key: | YHKFQAWTXCYQCR-UHFFFAOYSA-N |