N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y509-0899 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 476.28 |
| Molecular Formula: | C19 H15 Cl2 N7 O4 |
| Smiles: | Cc1c(Cn2cc(cn2)[N+]([O-])=O)c(C(Nc2cnn(Cc3ccc(c(c3)[Cl])[Cl])c2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.9974 |
| logD: | 2.9955 |
| logSw: | -3.5145 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.954 |
| InChI Key: | KPEFPRZUUMMTQW-UHFFFAOYSA-N |