3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0562 |
| Compound Name: | 3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C22 H25 N3 O7 S |
| Smiles: | Cc1ccc(cc1)S(CCc1nc(C(NCc2cc(c(c(c2)OC)OC)OC)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3018 |
| logD: | 2.3018 |
| logSw: | -3.0377 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.334 |
| InChI Key: | AQABZJFQQNCUQB-UHFFFAOYSA-N |