3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
Chemical Structure Depiction of
3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
Compound characteristics
| Compound ID: | J021-2071 |
| Compound Name: | 3-[3-({[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C20 H17 Cl N6 O2 S |
| Smiles: | C(Cc1nc(CSc2nnc(c3ccc(cc3)[Cl])[nH]2)no1)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4954 |
| logD: | 2.2948 |
| logSw: | -4.1789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.957 |
| InChI Key: | UMQDRPKFYGULQM-UHFFFAOYSA-N |