N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3387 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 546.05 |
| Molecular Formula: | C28 H24 Cl N5 O3 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8487 |
| logD: | 2.8487 |
| logSw: | -3.8649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.207 |
| InChI Key: | YXZNDFJEVKBIND-UHFFFAOYSA-N |