2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
Compound ID: | C724-0359 |
Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[2,3-d]pyrimidin-4(3H)-one |
Molecular Weight: | 536.01 |
Molecular Formula: | C26 H22 Cl N5 O4 S |
Smiles: | COc1ccc(CCN2C(=Nc3c(cccn3)C2=O)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.6911 |
logD: | 2.6911 |
logSw: | -3.4716 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 77.139 |
InChI Key: | UADCMMQPTJSMFA-UHFFFAOYSA-N |