4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C340-0178 |
| Compound Name: | 4-(2,5-dimethylphenyl)-N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 459.66 |
| Molecular Formula: | C27 H33 N5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(Nc1ccc2c(c1)c(C)cc(n2)N1CCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.0523 |
| logD: | 7.05 |
| logSw: | -5.7932 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.7088 |
| InChI Key: | BMHVVYSGBISEHV-UHFFFAOYSA-N |