1-[5-(2H-1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(2H-1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5868-0428 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C25 H23 N3 O3 |
| Smiles: | CCc1ccc(cc1)N1C(c2ccc3c(c2)OCO3)N(c2ccccc2)N=C1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8196 |
| logD: | 5.8196 |
| logSw: | -5.5027 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.799 |
| InChI Key: | GQPVCXZJUNKPFE-RUZDIDTESA-N |