N-(2,6-dimethylphenyl)-3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(2,6-dimethylphenyl)-3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | J021-3134 |
| Compound Name: | N-(2,6-dimethylphenyl)-3-[3-({[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | Cc1cccc(C)c1NC(CCc1nc(CSc2nnc(c3ccc(cc3)F)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3062 |
| logD: | 2.1055 |
| logSw: | -3.4692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.561 |
| InChI Key: | KVINYBAPWZDYCU-UHFFFAOYSA-N |