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-methoxybenzaldehyde
Chemical Structure Depiction of
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-methoxybenzaldehyde
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-methoxybenzaldehyde
Compound characteristics
| Compound ID: | G641-0384 |
| Compound Name: | 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-methoxybenzaldehyde |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C25 H23 N3 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCc1cc(C=O)ccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4437 |
| logD: | 3.4437 |
| logSw: | -3.8006 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.261 |
| InChI Key: | JCUPSHSMZGSCET-UHFFFAOYSA-N |