4-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Chemical Structure Depiction of
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
4-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Compound characteristics
| Compound ID: | 4298-0800 |
| Compound Name: | 4-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione |
| Molecular Weight: | 642.41 |
| Molecular Formula: | C25 H28 Br N3 O12 |
| Smiles: | CC(=O)OCC1C(C(C(C(N2C(N(Cc3ccc(c(c3)[Br])OC)C(C=N2)=O)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8802 |
| logD: | 1.8802 |
| logSw: | -2.5057 |
| Hydrogen bond acceptors count: | 19 |
| Polar surface area: | 140.792 |
| InChI Key: | QAIRZTMCRBBBNB-UHFFFAOYSA-N |