4-cyclopentyl-2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0351 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(3-methylbenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0159 |
| logD: | 3.0085 |
| logSw: | -2.8873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.332 |
| InChI Key: | AVLFAHFVKJRAIU-UHFFFAOYSA-N |