N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Chemical Structure Depiction of
N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Compound characteristics
Compound ID: | G193-0045 |
Compound Name: | N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide |
Molecular Weight: | 404.49 |
Molecular Formula: | C21 H20 N6 O S |
Smiles: | CC(C)c1ccc(cc1)n1c(C)c(c2nc(NC(c3ccccc3)=O)sn2)nn1 |
Stereo: | ACHIRAL |
logP: | 4.7644 |
logD: | 4.7602 |
logSw: | -4.5151 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.76 |
InChI Key: | LHOVONBDODWBCO-UHFFFAOYSA-N |