5-(4-tert-butylphenyl)-3-[(3-chloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-3-[(3-chloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
5-(4-tert-butylphenyl)-3-[(3-chloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
Compound ID: | 2013-0095 |
Compound Name: | 5-(4-tert-butylphenyl)-3-[(3-chloroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione |
Molecular Weight: | 373.9 |
Molecular Formula: | C19 H20 Cl N3 O S |
Smiles: | CC(C)(C)c1ccc(cc1)C1=NN(CNc2cccc(c2)[Cl])C(O1)=S |
Stereo: | ACHIRAL |
logP: | 6.1923 |
logD: | 6.1923 |
logSw: | -6.3129 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.348 |
InChI Key: | RXYWPRPLJHITLO-UHFFFAOYSA-N |