methyl N-[({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetyl]glycinate
Chemical Structure Depiction of
methyl N-[({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetyl]glycinate
methyl N-[({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetyl]glycinate
Compound characteristics
| Compound ID: | G641-0375 |
| Compound Name: | methyl N-[({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetyl]glycinate |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C21 H22 N4 O6 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCC(NCC(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2128 |
| logD: | 1.2128 |
| logSw: | -2.1435 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.794 |
| InChI Key: | LRILNRNVAOJXLS-UHFFFAOYSA-N |