4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]butanamide
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3365 |
| Compound Name: | 4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide |
| Molecular Weight: | 580.49 |
| Molecular Formula: | C28 H23 Cl2 N5 O3 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0438 |
| logD: | 3.0438 |
| logSw: | -3.8359 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.726 |
| InChI Key: | YRVCYJKEEDGWJP-UHFFFAOYSA-N |