5-bromo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}furan-2-carboxamide
5-bromo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | M346-0070 |
| Compound Name: | 5-bromo-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}furan-2-carboxamide |
| Molecular Weight: | 347.17 |
| Molecular Formula: | C14 H11 Br N4 O2 |
| Smiles: | C(c1ccc(cc1)NC(c1ccc(o1)[Br])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 2.003 |
| logD: | 2.0009 |
| logSw: | -2.4333 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.232 |
| InChI Key: | HPSLSSRIUKRPDO-UHFFFAOYSA-N |