N-(2,5-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(2,5-dimethylphenyl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
Compound characteristics
| Compound ID: | J021-3090 |
| Compound Name: | N-(2,5-dimethylphenyl)-3-[3-({[5-(3-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: | Cc1ccc(C)c(c1)NC(CCc1nc(CSc2nnc(c3cccc(c3)F)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2976 |
| logD: | 2.0969 |
| logSw: | -3.4244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.259 |
| InChI Key: | PUUHQVMJPMTQFD-UHFFFAOYSA-N |