2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-butyl-6-(morpholin-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-butyl-6-(morpholin-4-yl)quinazolin-4(3H)-one
2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-butyl-6-(morpholin-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-7122 |
| Compound Name: | 2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-butyl-6-(morpholin-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 556.48 |
| Molecular Formula: | C25 H26 Br N5 O3 S |
| Smiles: | CCCCN1C(=Nc2ccc(cc2C1=O)N1CCOCC1)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1135 |
| logD: | 3.1135 |
| logSw: | -3.4318 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.888 |
| InChI Key: | YDBVCSXTMZUJLF-UHFFFAOYSA-N |