5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2267 |
| Compound Name: | 5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | COc1cccc(C(N2CCC(CC2)C2=NNC(N2c2ccccc2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6737 |
| logD: | 2.6505 |
| logSw: | -3.3072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.132 |
| InChI Key: | GAMSZQSPFWZTLD-UHFFFAOYSA-N |