2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K263-0045 |
| Compound Name: | 2-[(3-benzyl-8-nitro-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C19 H14 N4 O4 S2 |
| Smiles: | C(c1ccccc1)N1C(=Nc2c3cc(ccc3sc2C1=O)[N+]([O-])=O)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3393 |
| logD: | 3.3393 |
| logSw: | -3.6514 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.307 |
| InChI Key: | GRQLVXPHTLJRHL-UHFFFAOYSA-N |