2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(butan-2-yl)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-(butan-2-yl)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-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | F071-0823 |
| 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-(butan-2-yl)acetamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C19 H22 N6 O4 S |
| Smiles: | CCC(C)NC(Cn1c(c(c(n1)SC)c1nc(c2ccc3c(c2)OCO3)no1)N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7556 |
| logD: | 2.7556 |
| logSw: | -3.3021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.032 |
| InChI Key: | PXMUTDWWJZUWOC-JTQLQIEISA-N |