N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L850-1449 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C21 H17 F N6 O4 S |
| Smiles: | Cn1c(c2nc(c3ccc(cc3)F)no2)nnc1SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.112 |
| logD: | 3.112 |
| logSw: | -3.3148 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.315 |
| InChI Key: | IOBNDYJXRCIHIK-UHFFFAOYSA-N |