7-acetyl-3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0379 |
| Compound Name: | 7-acetyl-3-[(furan-2-yl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6983 |
| logD: | 3.6983 |
| logSw: | -4.187 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.853 |
| InChI Key: | JWTBLRKHPMCRCN-UHFFFAOYSA-N |