4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
Chemical Structure Depiction of
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
Compound characteristics
| Compound ID: | 3819-1318 |
| Compound Name: | 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | [H]N(C(c1ccc(cc1)[Cl])=O)C(N1CCN(CC1)c1ccc(c2cccnc12)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0646 |
| logD: | 4.0625 |
| logSw: | -4.7419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.889 |
| InChI Key: | XVXRAPLBJINLEB-UHFFFAOYSA-N |