4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 5236-0338 |
| Compound Name: | 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(4-fluorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C21 H29 F N4 O S |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCCN1CCN(CC1)C(Nc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 2.8509 |
| logD: | 2.5346 |
| logSw: | -3.3346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.118 |
| InChI Key: | LOPQMYNIYAHLEF-UHFFFAOYSA-N |