N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-(methylamino)-1,2,5-thiadiazole-3-carbohydrazide
Chemical Structure Depiction of
N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-(methylamino)-1,2,5-thiadiazole-3-carbohydrazide
N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-(methylamino)-1,2,5-thiadiazole-3-carbohydrazide
Compound characteristics
| Compound ID: | K089-0147 |
| Compound Name: | N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-(methylamino)-1,2,5-thiadiazole-3-carbohydrazide |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C18 H20 N8 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2cc(/C=N/NC(c3c(NC)nsn3)=O)ccc2OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1575 |
| logD: | 2.1568 |
| logSw: | -2.8626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.794 |
| InChI Key: | WYLXWMWUYDFWLL-UHFFFAOYSA-N |