2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide
2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y501-8227 |
| Compound Name: | 2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)-N-(4-fluorophenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C13 H13 F N6 O3 S |
| Smiles: | Cc1c(c(C(NNC(Nc2ccc(cc2)F)=S)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0332 |
| logD: | -0.8122 |
| logSw: | -2.3672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.814 |
| InChI Key: | WUSIWCPLHOMLPS-UHFFFAOYSA-N |