1-ethyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
Chemical Structure Depiction of
1-ethyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
1-ethyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0180 |
| Compound Name: | 1-ethyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C24 H21 N5 O3 S |
| Smiles: | CCn1c2ccc(cc2nn1)c1nc(c2cccc(CS(c3ccc(C)cc3)(=O)=O)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5129 |
| logD: | 4.5129 |
| logSw: | -4.3837 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.831 |
| InChI Key: | JKXQVXXQJFBSSL-UHFFFAOYSA-N |