2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F071-0496 |
| Compound Name: | 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | Cc1ccc(CNC(Cn2c(c(c(n2)SC)c2nc(c3ccc4c(c3)OCO4)no2)N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7064 |
| logD: | 3.7064 |
| logSw: | -4.2844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.319 |
| InChI Key: | SZMZPMAXNNYOPS-UHFFFAOYSA-N |