5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-benzotriazole
Chemical Structure Depiction of
5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-benzotriazole
5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0334 |
| Compound Name: | 5-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-1-propyl-1H-benzotriazole |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CCCn1c2ccc(cc2nn1)c1nc(CCS(c2ccc(C)cc2)(=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7793 |
| logD: | 3.7793 |
| logSw: | -3.8911 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.022 |
| InChI Key: | OBZIVFNPEGALBG-UHFFFAOYSA-N |