1-[5-(2H-1,3-benzodioxol-5-yl)-4-tert-butyl-1-(4-chlorophenyl)-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-tert-butyl-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[5-(2H-1,3-benzodioxol-5-yl)-4-tert-butyl-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-9069 |
| Compound Name: | 1-[5-(2H-1,3-benzodioxol-5-yl)-4-tert-butyl-1-(4-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | CC(C1=NN(C(c2ccc3c(c2)OCO3)N1C(C)(C)C)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1279 |
| logD: | 5.1279 |
| logSw: | -5.7326 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.765 |
| InChI Key: | YUHMWBGGGBZGNL-FQEVSTJZSA-N |