N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0364 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(CCc1nc(C(NCCc2ccc(c(c2)OC)OC)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9708 |
| logD: | 1.9708 |
| logSw: | -2.8749 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.458 |
| InChI Key: | PAFSFLQRHPIVBP-UHFFFAOYSA-N |