N-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
N-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | K292-1639 |
| Compound Name: | N-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C20 H14 N4 O4 S2 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1=Nc2ccsc2C(N1NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.501 |
| logD: | 3.5007 |
| logSw: | -3.861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.572 |
| InChI Key: | JZNSZXYRBJVGNX-UHFFFAOYSA-N |