4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0206 |
| Compound Name: | 4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 320.36 |
| Molecular Formula: | C16 H21 F N4 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1cccc(c1O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3744 |
| logD: | 1.8663 |
| logSw: | -2.1583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.373 |
| InChI Key: | WFSWKGWOPIXPIX-UHFFFAOYSA-N |