7-chloro-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
7-chloro-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
7-chloro-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: | K292-0714 |
| Compound Name: | 7-chloro-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: | 541.05 |
| Molecular Formula: | C25 H21 Cl N4 O4 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2944 |
| logD: | 3.2944 |
| logSw: | -3.7078 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.534 |
| InChI Key: | OOBYCPDQOXKDLC-UHFFFAOYSA-N |