5-cyclopropyl-4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0507 |
| Compound Name: | 5-cyclopropyl-4-{1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CN1C(N(C2CCN(CC2)Cc2cccc(c2OC)OC)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0503 |
| logD: | 0.6821 |
| logSw: | -2.9932 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.729 |
| InChI Key: | IXTNRSCJWPLPPJ-UHFFFAOYSA-N |