3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | M354-0037 |
| Compound Name: | 3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 382.39 |
| Molecular Formula: | C19 H14 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(C2=Cc3ccccc3OC2=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9244 |
| logD: | 2.9244 |
| logSw: | -3.4331 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.593 |
| InChI Key: | LQILVQMVUYBUND-UHFFFAOYSA-N |