2-(4-bromophenoxy)-2-methyl-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Chemical Structure Depiction of
2-(4-bromophenoxy)-2-methyl-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
2-(4-bromophenoxy)-2-methyl-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Compound characteristics
Compound ID: | J011-0133 |
Compound Name: | 2-(4-bromophenoxy)-2-methyl-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide |
Molecular Weight: | 472.36 |
Molecular Formula: | C20 H18 Br N5 O2 S |
Smiles: | CC(C)(C(NCc1ccc(cc1)c1nn2cnnc2s1)=O)Oc1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 3.6491 |
logD: | 3.6491 |
logSw: | -3.9218 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.277 |
InChI Key: | NYIBKYLZHYONTP-UHFFFAOYSA-N |