2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2279 |
| Compound Name: | 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 512.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(cc3COC(C)(C)Cc3n2)C1=O)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.8018 |
| logD: | 6.7988 |
| logSw: | -6.3917 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.47 |
| InChI Key: | FKNVTALISIXVDT-UHFFFAOYSA-N |