2-[2-(4-bromophenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[2-(4-bromophenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
2-[2-(4-bromophenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8006-8379 |
| Compound Name: | 2-[2-(4-bromophenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one |
| Molecular Weight: | 338.11 |
| Molecular Formula: | C12 H8 Br N3 O4 |
| Smiles: | C(=C/c1ccc(cc1)[Br])\C1NC(C(=C(N=1)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4192 |
| logD: | -6.0889 |
| logSw: | -2.9234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.371 |
| InChI Key: | XUGRMNSECXVKIV-UHFFFAOYSA-N |