4-{[6-bromo-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[6-bromo-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[6-bromo-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4175 |
| Compound Name: | 4-{[6-bromo-2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 640.94 |
| Molecular Formula: | C28 H23 Br Cl N5 O4 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Br])SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5511 |
| logD: | 3.5511 |
| logSw: | -4.0967 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.145 |
| InChI Key: | NYMMHQWCCCAMDP-UHFFFAOYSA-N |