5-(4-tert-butylphenyl)-3-[(3-chloro-4-methylanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-3-[(3-chloro-4-methylanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
5-(4-tert-butylphenyl)-3-[(3-chloro-4-methylanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 2142-0220 |
| Compound Name: | 5-(4-tert-butylphenyl)-3-[(3-chloro-4-methylanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 387.93 |
| Molecular Formula: | C20 H22 Cl N3 O S |
| Smiles: | Cc1ccc(cc1[Cl])NCN1C(OC(c2ccc(cc2)C(C)(C)C)=N1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.829 |
| logD: | 6.829 |
| logSw: | -6.6399 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.348 |
| InChI Key: | OFQSTEFTWMLMRY-UHFFFAOYSA-N |