3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1977 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCC2=CC(N3C=CC=CC3=N2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8781 |
| logD: | 2.8781 |
| logSw: | -3.5317 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.997 |
| InChI Key: | OJXFFOHUIQVING-UHFFFAOYSA-N |