3-benzyl-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-benzyl-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0044 |
| Compound Name: | 3-benzyl-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C25 H17 N3 O4 S2 |
| Smiles: | C(c1ccccc1)N1C(=Nc2c3cc(ccc3sc2C1=O)[N+]([O-])=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5225 |
| logD: | 5.5225 |
| logSw: | -5.8993 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.894 |
| InChI Key: | DENUQIFSSCGWTE-UHFFFAOYSA-N |