6-[2-(2-chlorophenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(2-chlorophenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(2-chlorophenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 4071-0035 |
| Compound Name: | 6-[2-(2-chlorophenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 321.72 |
| Molecular Formula: | C14 H12 Cl N3 O4 |
| Smiles: | CN1C(/C=C/c2ccccc2[Cl])=C(C(N(C)C1=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9999 |
| logD: | 2.9999 |
| logSw: | -3.3464 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.232 |
| InChI Key: | FFRBIQULNRZTHV-UHFFFAOYSA-N |