3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | K284-3024 |
| Compound Name: | 3-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C26 H26 Cl N5 O3 S |
| Smiles: | C1CCC(CC1)NC(CCN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.944 |
| logD: | 2.944 |
| logSw: | -3.9579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.452 |
| InChI Key: | TUMISDOENCRQDI-UHFFFAOYSA-N |