6-[2-(4-ethylphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-[2-(4-ethylphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
6-[2-(4-ethylphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 4071-0059 |
| Compound Name: | 6-[2-(4-ethylphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | CCc1ccc(/C=C/C2=C(C(N(C)C(N2C)=O)=O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4 |
| logD: | 3.4 |
| logSw: | -3.537 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.232 |
| InChI Key: | MLEREFHIVXDOQX-MDZDMXLPSA-N |