1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
Compound characteristics
| Compound ID: | D155-0049 |
| Compound Name: | 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one |
| Molecular Weight: | 289.76 |
| Molecular Formula: | C15 H16 Cl N3 O |
| Smiles: | CC(C)(C)C(/C(=C/c1ccc(cc1)[Cl])n1cncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5661 |
| logD: | 3.5612 |
| logSw: | -4.1167 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.683 |
| InChI Key: | LACMLEGEQFCFAZ-UHFFFAOYSA-N |