2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1296 |
| Compound Name: | 2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(COc2ccccc2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.1227 |
| logD: | 2.1165 |
| logSw: | -2.1344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.709 |
| InChI Key: | SXNFRIAIXCVVRC-UHFFFAOYSA-N |