N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide
Chemical Structure Depiction of
N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide
N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide
Compound characteristics
| Compound ID: | K284-2505 |
| Compound Name: | N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide |
| Molecular Weight: | 503.97 |
| Molecular Formula: | C25 H18 Cl N5 O3 S |
| Smiles: | C(C(NN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.931 |
| logD: | 1.93 |
| logSw: | -3.0685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.464 |
| InChI Key: | YRFCICGSYIHXEG-UHFFFAOYSA-N |