1-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-one
1-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 0278-0033 |
| Compound Name: | 1-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 284.14 |
| Molecular Formula: | C12 H11 Cl2 N3 O |
| Smiles: | Cc1nc(C)n(CC(c2ccc(cc2[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2988 |
| logD: | 2.2988 |
| logSw: | -3.4312 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.661 |
| InChI Key: | VPKTVKSMTNWTIR-UHFFFAOYSA-N |