2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F071-0480 |
| 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-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C22 H20 N6 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(Cn1c(c(c(n1)SC)c1nc(c2ccc3c(c2)OCO3)no1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1662 |
| logD: | 4.1662 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.996 |
| InChI Key: | YPXWFNFEGPNSCG-UHFFFAOYSA-N |