N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K415-0114 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 535.4 |
| Molecular Formula: | C26 H23 Br N4 O4 |
| Smiles: | COc1cc(/C=C/C(Nc2ccc(cc2)n2c(cnn2)c2ccc(cc2)[Br])=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4449 |
| logD: | 5.4449 |
| logSw: | -5.3806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.078 |
| InChI Key: | WRNWFYUDYHRYRZ-UHFFFAOYSA-N |