4-benzyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
4-benzyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
4-benzyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C267-0312 |
| Compound Name: | 4-benzyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 474.67 |
| Molecular Formula: | C27 H34 N6 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(N1CCN(CC1)Cc1ccccc1)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8288 |
| logD: | 4.2588 |
| logSw: | -4.548 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.4004 |
| InChI Key: | PYWWPPWHMXQZSQ-UHFFFAOYSA-N |