4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0174 |
| Compound Name: | 4-{1-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C18 H26 N4 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1ccc(c(C)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6788 |
| logD: | 1.6869 |
| logSw: | -2.6322 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.525 |
| InChI Key: | HAXMSGANOZIETE-UHFFFAOYSA-N |