2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0086 |
| Compound Name: | 2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C24 H18 N4 O5 S2 |
| Smiles: | C(c1ccco1)NC(CSC1=Nc2c3cc(ccc3sc2C(N1Cc1ccccc1)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9324 |
| logD: | 4.9324 |
| logSw: | -4.9954 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.868 |
| InChI Key: | ZVKDXDCZNWFIQQ-UHFFFAOYSA-N |