1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one
1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one
Compound characteristics
| Compound ID: | 8016-0319 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one |
| Molecular Weight: | 303.36 |
| Molecular Formula: | C16 H21 N3 O3 |
| Smiles: | CCC(c1ccc(cc1)OCC(Cn1c(C)nc(C)n1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1668 |
| logD: | 1.1667 |
| logSw: | -2.1248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.78 |
| InChI Key: | KQLMUQRIORDATQ-AWEZNQCLSA-N |