2-(2-bromo-4,6-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(2-bromo-4,6-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(2-bromo-4,6-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0303 |
| Compound Name: | 2-(2-bromo-4,6-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | Cc1cc(C)c(c(c1)[Br])OCC(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7816 |
| logD: | 3.7816 |
| logSw: | -3.9572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.643 |
| InChI Key: | KZQBIKHSBACGNY-UHFFFAOYSA-N |