2-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
2-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K292-0742 |
| Compound Name: | 2-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C25 H22 N4 O4 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC2=CC(N3C=CC=CC3=N2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0993 |
| logD: | 3.0992 |
| logSw: | -3.4091 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.015 |
| InChI Key: | NVFSCSUTGKDNPN-UHFFFAOYSA-N |