2-(3,5-dimethylphenoxy)-N-{[4-(3-ethyl[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-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(3,5-dimethylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0441 |
| Compound Name: | 2-(3,5-dimethylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(COc3cc(C)cc(C)c3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5753 |
| logD: | 3.5753 |
| logSw: | -3.7072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | IQHDYZOQBZNDRY-UHFFFAOYSA-N |