4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3532 |
| Compound Name: | 4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 536.01 |
| Molecular Formula: | C26 H22 Cl N5 O4 S |
| Smiles: | C(CC(NCc1ccco1)=O)CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0971 |
| logD: | 2.0971 |
| logSw: | -3.2826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.475 |
| InChI Key: | PAXCIRKDIGKKNE-UHFFFAOYSA-N |