3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0417 |
| Compound Name: | 3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 375.22 |
| Molecular Formula: | C16 H15 Br N4 O2 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Br])N(C)C)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.79 |
| logD: | 2.27 |
| logSw: | -4.67 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.24 |
| InChI Key: | ZYCUNAHROXPNTQ-UHFFFAOYSA-N |