N-(4-chlorophenyl)-2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazine-1-carbothioamide
N-(4-chlorophenyl)-2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y501-8226 |
| Compound Name: | N-(4-chlorophenyl)-2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 368.8 |
| Molecular Formula: | C13 H13 Cl N6 O3 S |
| Smiles: | Cc1c(c(C(NNC(Nc2ccc(cc2)[Cl])=S)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5989 |
| logD: | -0.2465 |
| logSw: | -2.8447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.814 |
| InChI Key: | NSHMDJHUJARRMX-UHFFFAOYSA-N |