N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2,3-dimethoxybenzamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | K415-0127 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2,3-dimethoxybenzamide |
| Molecular Weight: | 479.33 |
| Molecular Formula: | C23 H19 Br N4 O3 |
| Smiles: | COc1cccc(C(Nc2ccc(cc2)n2c(cnn2)c2ccc(cc2)[Br])=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0331 |
| logD: | 5.0327 |
| logSw: | -4.5001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.661 |
| InChI Key: | PQFXXQUTBREJIA-UHFFFAOYSA-N |