4-benzyl-2-methyl-5-{1-[4-(propan-2-yl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-{1-[4-(propan-2-yl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-{1-[4-(propan-2-yl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0867 |
| Compound Name: | 4-benzyl-2-methyl-5-{1-[4-(propan-2-yl)benzoyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | CC(C)c1ccc(cc1)C(N1CCC(CC1)C1=NN(C)C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6477 |
| logD: | 4.6476 |
| logSw: | -4.2937 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.745 |
| InChI Key: | JMZPJFUGNKLCPE-UHFFFAOYSA-N |