methyl 3-[({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)methyl]-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-[({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)methyl]-4-methoxybenzoate
methyl 3-[({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)methyl]-4-methoxybenzoate
Compound characteristics
| Compound ID: | G641-0386 |
| Compound Name: | methyl 3-[({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)methyl]-4-methoxybenzoate |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C26 H25 N3 O6 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCc1cc(ccc1OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0469 |
| logD: | 4.0469 |
| logSw: | -4.2814 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.276 |
| InChI Key: | GIAIYVIXRGQUJG-UHFFFAOYSA-N |