6-(2-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}ethenyl)-5-nitropyrimidine-2,4-diol
Chemical Structure Depiction of
6-(2-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}ethenyl)-5-nitropyrimidine-2,4-diol
6-(2-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}ethenyl)-5-nitropyrimidine-2,4-diol
Compound characteristics
| Compound ID: | 5842-8658 |
| Compound Name: | 6-(2-{5-bromo-2-[(prop-2-en-1-yl)oxy]phenyl}ethenyl)-5-nitropyrimidine-2,4-diol |
| Molecular Weight: | 394.18 |
| Molecular Formula: | C15 H12 Br N3 O5 |
| Smiles: | C=CCOc1ccc(cc1/C=C/c1c(c(nc(n1)O)O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9582 |
| logD: | -0.4386 |
| logSw: | -4.1746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.949 |
| InChI Key: | LNYXKEYBPJLEHR-UHFFFAOYSA-N |