N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V024-9387 |
| Compound Name: | N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C25 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8325 |
| logD: | 5.8312 |
| logSw: | -5.4924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.965 |
| InChI Key: | BXTXZZRZFQRNME-UHFFFAOYSA-N |