4-cyclopentyl-2-methyl-5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0471 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-{1-[(3-methylphenoxy)acetyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC(CC1)C1=NN(C)C(N1C1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0014 |
| logD: | 2.994 |
| logSw: | -2.8562 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.304 |
| InChI Key: | WJEOTKJXWJLSFT-UHFFFAOYSA-N |