2-(4-benzylpiperidin-1-yl)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
2-(4-benzylpiperidin-1-yl)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y020-8200 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-8-methyl-4-[4-(methylsulfanyl)phenyl]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | CC1=CC(N2C(c3ccc(cc3)SC)N=C(NC2=N1)N1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.378 |
| logD: | 3.8306 |
| logSw: | -5.4733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.598 |
| InChI Key: | HFLAFQSDINRFPS-XMMPIXPASA-N |