1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-2-en-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-2-en-1-one
1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-2-en-1-one
Compound characteristics
| Compound ID: | D155-0023 |
| Compound Name: | 1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-2-en-1-one |
| Molecular Weight: | 310.18 |
| Molecular Formula: | C14 H13 Cl2 N3 O |
| Smiles: | CC(C)/C=C(/C(c1ccc(cc1[Cl])[Cl])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9334 |
| logD: | 3.9329 |
| logSw: | -4.3644 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.683 |
| InChI Key: | ORSOXQDXRGYNED-UHFFFAOYSA-N |