2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C724-0104 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C23 H15 Cl F N5 O2 S |
| Smiles: | C(c1ccc(cc1)F)N1C(=Nc2c(cccn2)C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.104 |
| logD: | 3.1039 |
| logSw: | -3.6889 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.9 |
| InChI Key: | YVLILLCERBGOGE-UHFFFAOYSA-N |