2-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Chemical Structure Depiction of
2-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
2-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Compound characteristics
| Compound ID: | 3820-6122 |
| Compound Name: | 2-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | Cc1ccccc1C(NC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4911 |
| logD: | 3.4903 |
| logSw: | -3.8479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.957 |
| InChI Key: | ZAHFCIWAEQRKJY-UHFFFAOYSA-N |