3-[(3-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
3-[(3-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thione
3-[(3-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8008-8454 |
| Compound Name: | 3-[(3-bromoanilino)methyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 418.35 |
| Molecular Formula: | C19 H20 Br N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NN(CNc2cccc(c2)[Br])C(O1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.2468 |
| logD: | 6.2468 |
| logSw: | -5.6903 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.348 |
| InChI Key: | NCLYHFOPSKAESP-UHFFFAOYSA-N |