3-[(4-bromoanilino)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
3-[(4-bromoanilino)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2(3H)-thione
3-[(4-bromoanilino)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8007-2787 |
| Compound Name: | 3-[(4-bromoanilino)methyl]-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 431.14 |
| Molecular Formula: | C15 H10 Br Cl2 N3 O S |
| Smiles: | C(Nc1ccc(cc1)[Br])N1C(OC(c2ccc(cc2[Cl])[Cl])=N1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.7393 |
| logD: | 5.7393 |
| logSw: | -6.2254 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.348 |
| InChI Key: | PIOLCAGKFNPYCI-UHFFFAOYSA-N |