5-cyclopropyl-4-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-cyclopropyl-4-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-cyclopropyl-4-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0387 |
| Compound Name: | 5-cyclopropyl-4-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C20 H26 N4 O4 |
| Smiles: | CN1C(N(C2CCN(CC2)C(c2ccc(cc2OC)OC)=O)C(C2CC2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.51 |
| logD: | 2.5057 |
| logSw: | -2.7652 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.472 |
| InChI Key: | PTQCHKGFNWOTCY-UHFFFAOYSA-N |