3-[(4-methoxyphenyl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-methoxyphenyl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0034 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-8-nitro-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C26 H19 N3 O5 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4cc(ccc4sc3C2=O)[N+]([O-])=O)SCC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5049 |
| logD: | 5.5049 |
| logSw: | -5.5521 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.438 |
| InChI Key: | ZSAHVUPPHZIRSW-UHFFFAOYSA-N |