N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide
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-fluorobenzamide
N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | G193-0498 |
| Compound Name: | N-{3-[1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-fluorobenzamide |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C20 H17 F N6 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3cccc(c3)F)=O)sn2)nnn1c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3066 |
| logD: | 3.2748 |
| logSw: | -3.7745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.021 |
| InChI Key: | MJRVINOKLQAGQX-UHFFFAOYSA-N |