N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-(3-methoxyphenyl)-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: | K263-0337 |
| Compound Name: | N-(3-methoxyphenyl)-2-({3-[(4-methoxyphenyl)methyl]-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 562.62 |
| Molecular Formula: | C27 H22 N4 O6 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(Nc2cccc(c2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5492 |
| logD: | 5.5492 |
| logSw: | -5.5279 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.884 |
| InChI Key: | WXLPCRJGDJBSLP-UHFFFAOYSA-N |