6-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | K292-1371 |
| Compound Name: | 6-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 654.21 |
| Molecular Formula: | C31 H32 Cl N5 O5 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8695 |
| logD: | 2.8695 |
| logSw: | -3.6221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.847 |
| InChI Key: | KWVLYKNJDPKQHC-UHFFFAOYSA-N |