N-{4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}butanamide
Chemical Structure Depiction of
N-{4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}butanamide
N-{4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}butanamide
Compound characteristics
| Compound ID: | V007-9074 |
| Compound Name: | N-{4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}butanamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Salt: | not_available |
| Smiles: | CCCC(Nc1ccc(cc1)n1c(c2ccccc2C)nc(n1)OCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.467 |
| logD: | 5.467 |
| logSw: | -5.452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.339 |
| InChI Key: | KXGSMMBKEAWKFW-UHFFFAOYSA-N |