2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2478 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-ethyl-8-methyl-3-(2-methylphenyl)-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(C(=Nc1n2)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0568 |
| logD: | 6.055 |
| logSw: | -5.9432 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.61 |
| InChI Key: | PJUSJYMIXUFJSD-NDEPHWFRSA-N |