N-(1-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-4348 |
| Compound Name: | N-(1-benzyl-1H-1,2,4-triazol-3-yl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | C(c1ccccc1)n1cnc(NC(c2ccc(COc3ccccc3[Br])o2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 4.388 |
| logSw: | -4.5599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.707 |
| InChI Key: | WESVQZXGZUELBD-UHFFFAOYSA-N |