3-bromo-4-ethoxy-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-bromo-4-ethoxy-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
3-bromo-4-ethoxy-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0197 |
| Compound Name: | 3-bromo-4-ethoxy-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C20 H18 Br N5 O2 S |
| Smiles: | CCOc1ccc(cc1[Br])C(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1748 |
| logD: | 3.1747 |
| logSw: | -3.3121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.394 |
| InChI Key: | RJXWRNFZBFUXBN-UHFFFAOYSA-N |