N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Chemical Structure Depiction of
N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Compound characteristics
| Compound ID: | G193-0041 |
| Compound Name: | N-(3-{5-methyl-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C19 H16 N6 O S2 |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3)=O)sn2)nnn1c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.8494 |
| logD: | 3.8453 |
| logSw: | -4.0777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | OSMGTYLORRSQDX-UHFFFAOYSA-N |