2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-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}-8,8-dimethyl-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}-8,8-dimethyl-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: | 5218-2270 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8,8-dimethyl-3-(2-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 506.02 |
| Molecular Formula: | C27 H24 Cl N3 O3 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cc3COC(C)(C)Cc3n2)C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6093 |
| logD: | 5.608 |
| logSw: | -5.8297 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.416 |
| InChI Key: | OBHQJGWEMCJDDQ-UHFFFAOYSA-N |