2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | F071-0271 |
| Compound Name: | 2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | Cc1ccc(cc1)c1nc(c2c(nn(CC(Nc3ccc4c(c3)OCCO4)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.1806 |
| logD: | 3.1806 |
| logSw: | -3.4288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.704 |
| InChI Key: | UMWCLXWKOKDHSF-UHFFFAOYSA-N |