4-chloro-N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
4-chloro-N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V011-8891 |
| Compound Name: | 4-chloro-N-(4-{5-(4-methylphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 491.93 |
| Molecular Formula: | C25 H22 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1017 |
| logD: | 6.091 |
| logSw: | -6.2107 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.664 |
| InChI Key: | ATVHVQIPWOYOCR-UHFFFAOYSA-N |