4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]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-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3423 |
| Compound Name: | 4-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 620.13 |
| Molecular Formula: | C31 H30 Cl N5 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6383 |
| logD: | 1.6383 |
| logSw: | -2.9977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.829 |
| InChI Key: | LZNATSYCXLOCMR-UHFFFAOYSA-N |