N-[(furan-2-yl)methyl]-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-[(furan-2-yl)methyl]-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K263-0336 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 536.58 |
| Molecular Formula: | C25 H20 N4 O6 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(NCc2ccco2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9147 |
| logD: | 4.9147 |
| logSw: | -4.8176 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.411 |
| InChI Key: | IELAPTPYMFTDAB-UHFFFAOYSA-N |