N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-9943 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 505.32 |
| Molecular Formula: | C20 H18 Cl2 N8 O4 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3ncn(Cc4ccc(c(c4)[Cl])[Cl])n3)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2501 |
| logD: | 3.2054 |
| logSw: | -3.588 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.845 |
| InChI Key: | DRGIDTOYSQCXNK-UHFFFAOYSA-N |