6-[2-(4-tert-butylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-[2-(4-tert-butylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
6-[2-(4-tert-butylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 6429-0035 |
| Compound Name: | 6-[2-(4-tert-butylphenyl)ethenyl]-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | CC(C)(C)c1ccc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1216 |
| logD: | -0.2752 |
| logSw: | -4.2763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.445 |
| InChI Key: | ZEFWJJKQVXKTKI-UHFFFAOYSA-N |