2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0231 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1C(N(C(=Nc1n2)SCc1ccc(cc1)[Cl])c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2569 |
| logD: | 5.2539 |
| logSw: | -5.6588 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.47 |
| InChI Key: | VVRCYSJNDMHPNC-UHFFFAOYSA-N |