N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide
N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | G193-0690 |
| Compound Name: | N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | Cc1cccc(c1)C(Nc1nc(c2c(C)n(c3ccc(c(c3)OC)OC)nn2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5549 |
| logD: | 3.5408 |
| logSw: | -3.878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.021 |
| InChI Key: | USHYGWPWSMPUSB-UHFFFAOYSA-N |