4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0181 |
| Compound Name: | 4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1cccc(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2982 |
| logD: | -0.0701 |
| logSw: | -2.3607 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.242 |
| InChI Key: | UDVLDLJGUHVCMI-UHFFFAOYSA-N |