methyl 2-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)sulfamoyl]benzoate
Chemical Structure Depiction of
methyl 2-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)sulfamoyl]benzoate
methyl 2-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)sulfamoyl]benzoate
Compound characteristics
| Compound ID: | L603-0209 |
| Compound Name: | methyl 2-[(3-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)sulfamoyl]benzoate |
| Molecular Weight: | 493.49 |
| Molecular Formula: | C24 H19 N3 O7 S |
| Smiles: | COC(c1ccccc1S(Nc1cccc(c1)c1nnc(Cc2ccc3c(c2)OCO3)o1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9461 |
| logD: | 3.943 |
| logSw: | -4.0985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.087 |
| InChI Key: | LKPJPFWMWXUFCX-UHFFFAOYSA-N |