N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V006-6874 |
| Compound Name: | N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 526.38 |
| Molecular Formula: | C25 H21 Cl2 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2363 |
| logD: | 7.2362 |
| logSw: | -6.5989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.662 |
| InChI Key: | UEKFEIHDVFQGGT-UHFFFAOYSA-N |