N-(3-chlorophenyl)-2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide
N-(3-chlorophenyl)-2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y501-7973 |
| Compound Name: | N-(3-chlorophenyl)-2-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C15 H17 Cl N6 O3 S |
| Smiles: | Cc1c(c(C)n(CCC(NNC(Nc2cccc(c2)[Cl])=S)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9791 |
| logD: | 1.9681 |
| logSw: | -3.0043 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.264 |
| InChI Key: | VROZBCMPQHVFQA-UHFFFAOYSA-N |