2-methyl-5-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
Chemical Structure Depiction of
2-methyl-5-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
2-methyl-5-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole
Compound characteristics
| Compound ID: | M416-0233 |
| Compound Name: | 2-methyl-5-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,3-benzoxazole |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C24 H19 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(Cc1ccc(cc1)c1nc(c2ccc3c(c2)nc(C)o3)no1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0437 |
| logD: | 5.0437 |
| logSw: | -4.7745 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.719 |
| InChI Key: | YHOMPTKQEBCOHT-UHFFFAOYSA-N |