4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide
4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3536-0060 |
| Compound Name: | 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide |
| Molecular Weight: | 338.51 |
| Molecular Formula: | C17 H30 N4 O S |
| Smiles: | CCNC(N1CCN(CCNC2CC(C)(C)CC(C=2)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.362 |
| logD: | 0.7931 |
| logSw: | -1.8831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.338 |
| InChI Key: | QDYLFGBKICAAQS-UHFFFAOYSA-N |