5-chloro-N-(4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazinylidene]ethyl}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
5-chloro-N-(4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazinylidene]ethyl}phenyl)thiophene-2-carboxamide
5-chloro-N-(4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazinylidene]ethyl}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y500-4842 |
| Compound Name: | 5-chloro-N-(4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)hydrazinylidene]ethyl}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 460.9 |
| Molecular Formula: | C19 H17 Cl N6 O4 S |
| Smiles: | C\C(c1ccc(cc1)NC(c1ccc(s1)[Cl])=O)=N/NC(c1c(c(C)nn1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1044 |
| logD: | 2.1817 |
| logSw: | -3.8138 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.6 |
| InChI Key: | XJBATGWHFYFQQM-UHFFFAOYSA-N |