7-acetyl-3-benzyl-2-{[(4-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-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G641-0308 |
| Compound Name: | 7-acetyl-3-benzyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C25 H22 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2308 |
| logD: | 4.2308 |
| logSw: | -4.3882 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.104 |
| InChI Key: | ZFSXVYQNJGFIJY-UHFFFAOYSA-N |