1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6408-0156 |
| Compound Name: | 1-[4-tert-butyl-5-(4-ethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C22 H27 N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1N(C(C(C)=O)=NN1c1ccccc1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8503 |
| logD: | 4.8503 |
| logSw: | -4.5308 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.774 |
| InChI Key: | WIUWKIVQJKJRHG-OAQYLSRUSA-N |