5-(2-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(2-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole
5-(2-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | S558-0628 |
| Compound Name: | 5-(2-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]oxy}phenyl)-3-methyl-1,2,4-oxadiazole |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1nc(c2ccccc2OC2CCN(C2)S(c2ccc3c(c2)OCCO3)(=O)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9967 |
| logD: | 1.9967 |
| logSw: | -2.8181 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.71 |
| InChI Key: | QYKRSJCKOILHRK-OAHLLOKOSA-N |