4-ethyl-6-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-ethyl-6-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-2H-1,4-benzoxazin-3(4H)-one
4-ethyl-6-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-0553 |
| Compound Name: | 4-ethyl-6-(5-{4-[(4-methylbenzene-1-sulfonyl)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | CCN1C(COc2ccc(cc12)c1nc(c2ccc(CS(c3ccc(C)cc3)(=O)=O)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2954 |
| logD: | 4.2954 |
| logSw: | -4.3765 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.235 |
| InChI Key: | ITYGHDBVPLHFOU-UHFFFAOYSA-N |