2-(3,5-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-(3,5-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(3,5-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: | J011-0289 |
| Compound Name: | 2-(3,5-dimethylphenoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCC(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9451 |
| logD: | 2.9451 |
| logSw: | -3.2331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.469 |
| InChI Key: | RBYYFNDXVIHLMJ-UHFFFAOYSA-N |