1-benzyl-4-hydroxy-3-{[4-(2-hydroxyethyl)piperazin-1-yl][4-(methylsulfanyl)phenyl]methyl}-6-methylpyridin-2(1H)-one
Chemical Structure Depiction of
1-benzyl-4-hydroxy-3-{[4-(2-hydroxyethyl)piperazin-1-yl][4-(methylsulfanyl)phenyl]methyl}-6-methylpyridin-2(1H)-one
1-benzyl-4-hydroxy-3-{[4-(2-hydroxyethyl)piperazin-1-yl][4-(methylsulfanyl)phenyl]methyl}-6-methylpyridin-2(1H)-one
Compound characteristics
| Compound ID: | G747-0051 |
| Compound Name: | 1-benzyl-4-hydroxy-3-{[4-(2-hydroxyethyl)piperazin-1-yl][4-(methylsulfanyl)phenyl]methyl}-6-methylpyridin-2(1H)-one |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | CC1=CC(=C(C(c2ccc(cc2)SC)N2CCN(CC2)CCO)C(N1Cc1ccccc1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6743 |
| logD: | 1.7664 |
| logSw: | -3.7658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.804 |
| InChI Key: | FPJHNMFPGGVMJD-SANMLTNESA-N |