N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-3941 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C30 H29 N5 O5 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6964 |
| logD: | 1.6964 |
| logSw: | -2.7078 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.31 |
| InChI Key: | HEBVNBWAQNWOHK-UHFFFAOYSA-N |