N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y509-0898 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 477.26 |
| Molecular Formula: | C18 H14 Cl2 N8 O4 |
| Smiles: | Cc1c(Cn2cc(cn2)[N+]([O-])=O)c(C(Nc2ncn(Cc3ccc(cc3[Cl])[Cl])n2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.0261 |
| logD: | 2.9814 |
| logSw: | -3.4635 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.67 |
| InChI Key: | SMUFZAIUTJIFGQ-UHFFFAOYSA-N |