N-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
N-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | K292-1764 |
| Compound Name: | N-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzamide |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C21 H14 N4 O5 S2 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)SC1=Nc2ccsc2C(N1NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3449 |
| logD: | 3.3442 |
| logSw: | -3.7578 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.819 |
| InChI Key: | AGFWNBANZQPHDV-UHFFFAOYSA-N |