5-bromo-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
5-bromo-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | J011-0234 |
| Compound Name: | 5-bromo-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 418.27 |
| Molecular Formula: | C16 H12 Br N5 O2 S |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(c3ccc(o3)[Br])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.1916 |
| logD: | 2.1911 |
| logSw: | -2.5594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.109 |
| InChI Key: | KWHSRAFFJQYGOC-UHFFFAOYSA-N |