3-butyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-butyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
3-butyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-7112 |
| Compound Name: | 3-butyl-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-6-(morpholin-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 512.03 |
| Molecular Formula: | C25 H26 Cl N5 O3 S |
| Smiles: | CCCCN1C(=Nc2ccc(cc2C1=O)N1CCOCC1)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.975 |
| logD: | 2.975 |
| logSw: | -3.4795 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.888 |
| InChI Key: | MDHDAAKAWCZRHB-UHFFFAOYSA-N |