3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2469 |
| Compound Name: | 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 520.05 |
| Molecular Formula: | C28 H26 Cl N3 O3 S |
| Smiles: | CCC1(C)Cc2c(CO1)cc1C(N(Cc3ccccc3)C(=Nc1n2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.22 |
| logD: | 6.2189 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.522 |
| InChI Key: | OXSSCANHCZZASA-NDEPHWFRSA-N |