3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0741 |
| Compound Name: | 3-[4-(benzyloxy)-3-bromophenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C21 H16 Br N3 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Br])OCc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 3.49 |
| logSw: | -5.69 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.38 |
| InChI Key: | SWLWAFLFZYBUGR-UHFFFAOYSA-N |