2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8003-1238 |
| Compound Name: | 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 302.2 |
| Molecular Formula: | C12 H6 N4 O6 |
| Smiles: | C1=C(C(NC(N1)=O)=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1744 |
| logD: | -1.9098 |
| logSw: | -2.4656 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.76 |
| InChI Key: | AQEIWTPHXYGWNO-UHFFFAOYSA-N |