N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
Chemical Structure Depiction of
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
Compound characteristics
| Compound ID: | C267-0272 |
| Compound Name: | N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]azepane-1-carbothioamide |
| Molecular Weight: | 397.58 |
| Molecular Formula: | C22 H31 N5 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(N1CCCCCC1)=S)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0084 |
| logD: | 4.4384 |
| logSw: | -4.6699 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.191 |
| InChI Key: | JOGWHDSFGXCBJM-UHFFFAOYSA-N |