N-(4-chloro-2-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
N-(4-chloro-2-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-0949 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide |
| Molecular Weight: | 367.9 |
| Molecular Formula: | C17 H22 Cl N3 O2 S |
| Smiles: | Cc1cc(ccc1NC(N1CCN(CC1)C(C1CCCO1)=O)=S)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9852 |
| logD: | 2.9852 |
| logSw: | -3.5283 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.307 |
| InChI Key: | BCKARAUVYLKYTN-HNNXBMFYSA-N |