methyl 2-(3-{3-[(4-fluorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Chemical Structure Depiction of
methyl 2-(3-{3-[(4-fluorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
methyl 2-(3-{3-[(4-fluorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate
Compound characteristics
| Compound ID: | G729-1229 |
| Compound Name: | methyl 2-(3-{3-[(4-fluorobenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamido)benzoate |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C20 H18 F N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CCc1nc(CS(c2ccc(cc2)F)(=O)=O)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1373 |
| logD: | 2.1113 |
| logSw: | -2.994 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.962 |
| InChI Key: | OCXSBWBNBKFLOX-UHFFFAOYSA-N |