1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | D481-2219 |
| Compound Name: | 1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 306.37 |
| Molecular Formula: | C18 H18 N4 O |
| Smiles: | Cc1ccc(cc1C)c1nc(N)n(C(Cc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6318 |
| logD: | 3.6292 |
| logSw: | -3.9642 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.319 |
| InChI Key: | BVTGBHSPSLABRM-UHFFFAOYSA-N |