5-nitro-6-{2-[4-(propan-2-yl)phenyl]ethenyl}pyrimidine-2,4-diol
Chemical Structure Depiction of
5-nitro-6-{2-[4-(propan-2-yl)phenyl]ethenyl}pyrimidine-2,4-diol
5-nitro-6-{2-[4-(propan-2-yl)phenyl]ethenyl}pyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 6429-0037 |
| Compound Name: | 5-nitro-6-{2-[4-(propan-2-yl)phenyl]ethenyl}pyrimidine-2,4-diol |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C15 H15 N3 O4 |
| Smiles: | CC(C)c1ccc(/C=C/c2c(c(nc(n2)O)O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6653 |
| logD: | -0.7315 |
| logSw: | -3.8759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.445 |
| InChI Key: | HEBONQRXDWTYBH-UHFFFAOYSA-N |