4-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-N-phenylpiperidine-1-carbothioamide
Chemical Structure Depiction of
4-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-N-phenylpiperidine-1-carbothioamide
4-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-N-phenylpiperidine-1-carbothioamide
Compound characteristics
| Compound ID: | 3045-0243 |
| Compound Name: | 4-{[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]methyl}-N-phenylpiperidine-1-carbothioamide |
| Molecular Weight: | 371.54 |
| Molecular Formula: | C21 H29 N3 O S |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCC1CCN(CC1)C(Nc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7362 |
| logD: | 3.7321 |
| logSw: | -4.0854 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.486 |
| InChI Key: | IARXEOVONHCPPF-UHFFFAOYSA-N |