N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide
N-(2H-1,3-benzodioxol-5-yl)-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: | J021-3117 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-[3-({[5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]propanamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C21 H17 F N6 O4 S |
| Smiles: | C(Cc1nc(CSc2nnc(c3cccc(c3)F)[nH]2)no1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0895 |
| logD: | 1.8888 |
| logSw: | -3.4336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.072 |
| InChI Key: | DEQBFVRXXAOCFG-UHFFFAOYSA-N |