1-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5868-0213 |
| Compound Name: | 1-[5-(4-bromophenyl)-4-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 464.36 |
| Molecular Formula: | C24 H22 Br N3 O2 |
| Smiles: | CCOc1ccc(cc1)N1C(c2ccc(cc2)[Br])N(c2ccccc2)N=C1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1614 |
| logD: | 6.1614 |
| logSw: | -5.605 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.807 |
| InChI Key: | VVIWDNYHYNQRKY-DEOSSOPVSA-N |