N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methylbenzamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methylbenzamide
N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | V008-0597 |
| Compound Name: | N-{4-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2-methylbenzamide |
| Molecular Weight: | 495.41 |
| Molecular Formula: | C26 H24 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2ccc(cc2)NC(c2ccccc2C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5296 |
| logD: | 7.5293 |
| logSw: | -6.3694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.28 |
| InChI Key: | CMGHEEWWYJCEEI-UHFFFAOYSA-N |