2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)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-(4-chlorophenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-5965 |
| Compound Name: | 2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 613.92 |
| Molecular Formula: | C27 H22 Br Cl N4 O4 S |
| Smiles: | COc1cc2C(N(CCc3ccc(cc3)[Cl])C(=Nc2cc1OC)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5445 |
| logD: | 4.5445 |
| logSw: | -4.6904 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.516 |
| InChI Key: | GCKKJNXTAHXCLA-UHFFFAOYSA-N |