2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C724-0489 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(4-ethoxyphenyl)pyrido[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C24 H18 Cl N5 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(cccn2)C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8526 |
| logD: | 2.8525 |
| logSw: | -3.5652 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.412 |
| InChI Key: | KKOUAKVVAFBXGI-UHFFFAOYSA-N |