1-methyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
Chemical Structure Depiction of
1-methyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
1-methyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0030 |
| Compound Name: | 1-methyl-5-(5-{3-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1H-benzotriazole |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)S(Cc1cccc(c1)c1nc(c2ccc3c(c2)nnn3C)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.151 |
| logD: | 4.151 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.393 |
| InChI Key: | UYHMMDCNYRICJJ-UHFFFAOYSA-N |