5-(4-tert-butylphenyl)-3-[(3-chloro-4-fluoroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-3-[(3-chloro-4-fluoroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
5-(4-tert-butylphenyl)-3-[(3-chloro-4-fluoroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8008-8378 |
| Compound Name: | 5-(4-tert-butylphenyl)-3-[(3-chloro-4-fluoroanilino)methyl]-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 391.89 |
| Molecular Formula: | C19 H19 Cl F N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NN(CNc2ccc(c(c2)[Cl])F)C(O1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.1689 |
| logD: | 6.1689 |
| logSw: | -6.3298 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.348 |
| InChI Key: | NGEQSUNXKULDIJ-UHFFFAOYSA-N |