3-{3-bromo-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-bromo-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0866 |
| Compound Name: | 3-{3-bromo-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 483.28 |
| Molecular Formula: | C21 H15 Br N4 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Br])OCc2ccccc2[N+]([O-])=O)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 3.39 |
| logSw: | -5.7 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.65 |
| InChI Key: | KLTZDKOAXOZOHH-UHFFFAOYSA-N |