3-benzyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pteridin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pteridin-4(3H)-one
3-benzyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0002 |
| Compound Name: | 3-benzyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pteridin-4(3H)-one |
| Molecular Weight: | 462.92 |
| Molecular Formula: | C22 H15 Cl N6 O2 S |
| Smiles: | C(c1ccccc1)N1C(=Nc2c(C1=O)nccn2)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3589 |
| logD: | 2.3589 |
| logSw: | -2.8648 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.809 |
| InChI Key: | PMROFBSQYKZZSB-UHFFFAOYSA-N |