2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6058 |
| Compound Name: | 2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 639.52 |
| Molecular Formula: | C29 H27 Br N4 O6 S |
| Smiles: | COc1ccc(CCN2C(=Nc3cc(c(cc3C2=O)OC)OC)SCC2=CC(N3C=C(C=CC3=N2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4668 |
| logD: | 3.4668 |
| logSw: | -3.8009 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.777 |
| InChI Key: | OJJVKPSBEOKODY-UHFFFAOYSA-N |