N-(4-{5-(3,4-dichlorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{5-(3,4-dichlorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(4-{5-(3,4-dichlorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V007-0102 |
| Compound Name: | N-(4-{5-(3,4-dichlorophenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 512.35 |
| Molecular Formula: | C24 H19 Cl2 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6914 |
| logD: | 6.6901 |
| logSw: | -6.6259 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.965 |
| InChI Key: | XYOLMPIRXYILJN-UHFFFAOYSA-N |