1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one
Compound characteristics
| Compound ID: | 8017-6071 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethan-1-one |
| Molecular Weight: | 319.36 |
| Molecular Formula: | C16 H21 N3 O4 |
| Smiles: | CC(c1ccc(c(c1)OC)OCC(Cn1c(C)nc(C)n1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5548 |
| logD: | 0.5547 |
| logSw: | -1.7286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.077 |
| InChI Key: | KMTBGRVNYHTBBW-AWEZNQCLSA-N |