N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | 3820-6139 |
| Compound Name: | N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide |
| Molecular Weight: | 384.88 |
| Molecular Formula: | C16 H21 Cl N4 O3 S |
| Smiles: | CC(C)CC(NC(N1CCN(CC1)c1ccc(cc1[Cl])[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7148 |
| logD: | 3.7148 |
| logSw: | -4.1098 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.715 |
| InChI Key: | WZGGLUQLQCFCGG-UHFFFAOYSA-N |