2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Chemical Structure Depiction of
2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate
Compound characteristics
| Compound ID: | Y505-4449 |
| Compound Name: | 2,6-dibromo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl benzenesulfonate |
| Molecular Weight: | 530.15 |
| Molecular Formula: | C17 H10 Br2 N2 O6 S |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1cc(c(c(c1)[Br])OS(c1ccccc1)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7903 |
| logD: | 2.443 |
| logSw: | -3.5276 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.578 |
| InChI Key: | ZCGAHIQVHLJCMS-UHFFFAOYSA-N |