6-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
6-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L834-1076 |
| Compound Name: | 6-{5-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | CCCN1C(COc2ccc(cc12)c1nc(CCS(c2ccc(C)cc2)(=O)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.604 |
| logD: | 3.604 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.426 |
| InChI Key: | IMDCFYOLFSBZKZ-UHFFFAOYSA-N |