methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2069 |
| Compound Name: | methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C29 H26 N4 O6 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC1=CC(N2C=CC=CC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1696 |
| logD: | 3.1696 |
| logSw: | -3.4631 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.171 |
| InChI Key: | DFEPTPGXMTVJHP-UHFFFAOYSA-N |