methyl 4-{2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]acetamido}benzoate
methyl 4-{2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F071-0693 |
| Compound Name: | methyl 4-{2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(Cn1c(c(c(n1)SC)c1nc(c2ccccc2)no1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7703 |
| logD: | 3.7702 |
| logSw: | -4.3888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.055 |
| InChI Key: | VQBHYBBPJRCONC-UHFFFAOYSA-N |