2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-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}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5218-2284 |
| Compound Name: | 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 528.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1C(N(C(=Nc1n2)SCc1ccc(c(c1)[Cl])[Cl])c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3608 |
| logD: | 6.3577 |
| logSw: | -6.2565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.013 |
| InChI Key: | VAZFKCWYHHRACW-UHFFFAOYSA-N |