N-{3-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}propanamide
Chemical Structure Depiction of
N-{3-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}propanamide
N-{3-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}propanamide
Compound characteristics
| Compound ID: | V016-4387 |
| Compound Name: | N-{3-[5-(3,4-dichlorophenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}propanamide |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C21 H22 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCC(Nc1cccc(c1)n1c(c2ccc(c(c2)[Cl])[Cl])nc(n1)OCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4197 |
| logD: | 6.4197 |
| logSw: | -6.4358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.339 |
| InChI Key: | NUZWANJSXMYEBI-UHFFFAOYSA-N |