4-butyl-N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}benzamide
Chemical Structure Depiction of
4-butyl-N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}benzamide
4-butyl-N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | V011-8902 |
| Compound Name: | 4-butyl-N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}benzamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C28 H30 N4 O2 |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc(C)cc2)nc(n1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5487 |
| logD: | 7.5485 |
| logSw: | -5.6439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.905 |
| InChI Key: | TYXVKSYITSPTMZ-UHFFFAOYSA-N |