5-cyclopropyl-4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0532 |
| Compound Name: | 5-cyclopropyl-4-{1-[(3-fluoro-2-hydroxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C18 H23 F N4 O2 |
| Smiles: | CN1C(N(C2CCN(CC2)Cc2cccc(c2O)F)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1265 |
| logD: | 2.6184 |
| logSw: | -2.8051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.861 |
| InChI Key: | YNBWRBSJMKHMQD-UHFFFAOYSA-N |