N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
Compound characteristics
Compound ID: | 2237-0101 |
Compound Name: | N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide |
Molecular Weight: | 406.33 |
Molecular Formula: | C19 H17 Cl2 N3 O S |
Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(NC(c2ccc(cc2[Cl])[Cl])=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.8008 |
logD: | 6.5154 |
logSw: | -6.4475 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.603 |
InChI Key: | LLXYWZLDOOQLHL-UHFFFAOYSA-N |