3-{[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | G641-0311 |
| Compound Name: | 3-{[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C27 H25 N3 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCc1cc(C=O)ccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1902 |
| logD: | 4.1902 |
| logSw: | -4.4679 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.513 |
| InChI Key: | GKBANRLJRRVARZ-UHFFFAOYSA-N |