methyl 2-(2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamido)benzoate
methyl 2-(2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | S333-0888 |
| Compound Name: | methyl 2-(2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}acetamido)benzoate |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C23 H19 F N4 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1cccc1c1nc(c2ccc(c(c2)F)OC)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.518 |
| logD: | 4.486 |
| logSw: | -4.3672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.49 |
| InChI Key: | YPBJZJLDPBSWDO-UHFFFAOYSA-N |