3-bromo-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-methoxybenzamide
Chemical Structure Depiction of
3-bromo-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-methoxybenzamide
3-bromo-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | J011-0338 |
| Compound Name: | 3-bromo-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-methoxybenzamide |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C20 H18 Br N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(c(c3)[Br])OC)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4385 |
| logD: | 3.4384 |
| logSw: | -3.7432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.013 |
| InChI Key: | BIZCLFMTERFXJQ-UHFFFAOYSA-N |