5-[(benzyloxy)methyl]-3-[1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(benzyloxy)methyl]-3-[1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
5-[(benzyloxy)methyl]-3-[1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | S592-0239 |
| Compound Name: | 5-[(benzyloxy)methyl]-3-[1-(2,5-dimethylbenzene-1-sulfonyl)pyrrolidin-3-yl]-1,2,4-oxadiazole |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC(C1)c1nc(COCc2ccccc2)on1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2414 |
| logD: | 4.2414 |
| logSw: | -4.2003 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.755 |
| InChI Key: | QBLNDYXQASMHSA-LJQANCHMSA-N |