N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
Chemical Structure Depiction of
N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide
Compound characteristics
| Compound ID: | C340-0036 |
| Compound Name: | N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]azepane-1-carbothioamide |
| Molecular Weight: | 368.54 |
| Molecular Formula: | C21 H28 N4 S |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(N1CCCCCC1)=S)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.755 |
| logD: | 5.7549 |
| logSw: | -5.6137 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.0804 |
| InChI Key: | MGPWOAHGVIOVAU-UHFFFAOYSA-N |