6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 4071-0051 |
| Compound Name: | 6-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 331.28 |
| Molecular Formula: | C15 H13 N3 O6 |
| Smiles: | CN1C(/C=C/c2ccc3c(c2)OCO3)=C(C(N(C)C1=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4735 |
| logD: | 2.4735 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.347 |
| InChI Key: | XYMUYICPTNCZNU-UHFFFAOYSA-N |