N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-butoxybenzamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-butoxybenzamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-butoxybenzamide
Compound characteristics
| Compound ID: | K415-0311 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-4-butoxybenzamide |
| Molecular Weight: | 491.39 |
| Molecular Formula: | C25 H23 Br N4 O2 |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc(cc1)n1c(cnn1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6558 |
| logD: | 6.6558 |
| logSw: | -5.6218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.732 |
| InChI Key: | JJYSEDSCDNYHFA-UHFFFAOYSA-N |