5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S383-2445 |
| Compound Name: | 5-{1-[(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 440.93 |
| Molecular Formula: | C23 H25 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)N1C(C2CCN(CC2)C(COc2ccc(cc2C)[Cl])=O)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.5152 |
| logD: | 4.492 |
| logSw: | -4.6108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.842 |
| InChI Key: | OSMDHWRMQQXNNO-UHFFFAOYSA-N |