1-ethyl-5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazole
Chemical Structure Depiction of
1-ethyl-5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazole
1-ethyl-5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0184 |
| Compound Name: | 1-ethyl-5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazole |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | CCn1c2ccc(cc2nn1)c1nc(CCS(c2ccc(C)cc2)(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.1985 |
| logD: | 3.1985 |
| logSw: | -3.3116 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.769 |
| InChI Key: | JKCLAZACJRHMFM-UHFFFAOYSA-N |