3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0607 |
| Compound Name: | 3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CC(C)Oc1ccc(CNC(c2nc(CCS(c3ccc(C)cc3)(=O)=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1867 |
| logD: | 3.1867 |
| logSw: | -3.5638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.159 |
| InChI Key: | IDJWDTBBSLHCFH-UHFFFAOYSA-N |