6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8010-1984 |
| Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 303.23 |
| Molecular Formula: | C13 H9 N3 O6 |
| Smiles: | C1Oc2ccc(/C=C/C3=C(C(NC(N3)=O)=O)[N+]([O-])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 1.7772 |
| logD: | -1.3376 |
| logSw: | -2.4284 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.523 |
| InChI Key: | DDMIGSXWDRQILX-UHFFFAOYSA-N |