1-[5-(3-chloro-2-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
Chemical Structure Depiction of
1-[5-(3-chloro-2-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
1-[5-(3-chloro-2-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
Compound characteristics
Compound ID: | C120-0026 |
Compound Name: | 1-[5-(3-chloro-2-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one |
Molecular Weight: | 281.76 |
Molecular Formula: | C12 H12 Cl N3 O S |
Smiles: | CC(Cc1nc(Nc2cccc(c2C)[Cl])sn1)=O |
Stereo: | ACHIRAL |
logP: | 3.6153 |
logD: | 3.6153 |
logSw: | -3.7844 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.638 |
InChI Key: | XLHLTIAPWNRUMO-UHFFFAOYSA-N |