4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K292-1312 |
| Compound Name: | 4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C26 H24 N4 O5 S2 |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccsc2C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.359 |
| logD: | 3.359 |
| logSw: | -3.7459 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.709 |
| InChI Key: | JWVNKKAUPJRDSS-UHFFFAOYSA-N |