2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-N-(2-phenylethyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-N-(2-phenylethyl)hydrazine-1-carbothioamide
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-N-(2-phenylethyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-7215 |
| Compound Name: | 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-N-(2-phenylethyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H24 N6 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(NNC(NCCc2ccccc2)=S)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2883 |
| logD: | 0.7254 |
| logSw: | -2.9786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.391 |
| InChI Key: | XMZBJMDVSXJTEC-UHFFFAOYSA-N |