2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0071 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[(4-methoxyphenyl)methyl]pteridin-4(3H)-one |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C23 H17 Cl N6 O3 S |
| Smiles: | COc1ccc(CN2C(=Nc3c(C2=O)nccn3)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3412 |
| logD: | 2.3412 |
| logSw: | -2.9193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.353 |
| InChI Key: | NLAIPODMLBYZGD-UHFFFAOYSA-N |