N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazine-1-carbothioamide
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-5700 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-2-[3-(3-nitro-1H-1,2,4-triazol-1-yl)propanoyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C16 H16 F N9 O3 S |
| Smiles: | C(Cn1cnc(n1)[N+]([O-])=O)C(NNC(Nc1ccn(Cc2ccccc2F)n1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8322 |
| logD: | 0.8055 |
| logSw: | -2.4352 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.554 |
| InChI Key: | GOQDCNDUMBJTCG-UHFFFAOYSA-N |