2-(2-chloro-4,6-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-(2-chloro-4,6-dimethylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(2-chloro-4,6-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: | J011-0452 |
| Compound Name: | 2-(2-chloro-4,6-dimethylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(COc3c(C)cc(C)cc3[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3074 |
| logD: | 4.3074 |
| logSw: | -4.513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.842 |
| InChI Key: | PLDYEVGXQIYLFY-UHFFFAOYSA-N |