4-cyclopentyl-5-{1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-{1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-{1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0463 |
| Compound Name: | 4-cyclopentyl-5-{1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(CCc2ccccc2OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.305 |
| logD: | 3.2976 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.435 |
| InChI Key: | BYNRRULOXKGSAM-UHFFFAOYSA-N |