4-benzyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperidine-1-carbothioamide
Chemical Structure Depiction of
4-benzyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperidine-1-carbothioamide
4-benzyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperidine-1-carbothioamide
Compound characteristics
Compound ID: | C267-0053 |
Compound Name: | 4-benzyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperidine-1-carbothioamide |
Molecular Weight: | 487.71 |
Molecular Formula: | C29 H37 N5 S |
Smiles: | CCN1CCN(CC1)c1cc(C)c2cc(ccc2n1)NC(N1CCC(CC1)Cc1ccccc1)=S |
Stereo: | ACHIRAL |
logP: | 6.828 |
logD: | 6.1406 |
logSw: | -5.9475 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 25.6486 |
InChI Key: | ZXRYNDXTSYALAE-UHFFFAOYSA-N |