N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-methylbenzamide
N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | G193-0167 |
| Compound Name: | N-{3-[1-(3,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-methylbenzamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C21 H20 N6 O S |
| Smiles: | Cc1ccc(cc1)C(Nc1nc(c2c(C)n(c3cc(C)cc(C)c3)nn2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.943 |
| logD: | 4.9378 |
| logSw: | -4.634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | IQMCLZKBGRNTES-UHFFFAOYSA-N |