N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-dimethoxybenzamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | K415-0129 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C23 H19 Br N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc(cc1)n1c(cnn1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8477 |
| logD: | 4.8477 |
| logSw: | -4.618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.575 |
| InChI Key: | VFUXSWDKLCSICE-UHFFFAOYSA-N |