N-(2-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)-4-methylbenzene-1-sulfonamide
N-(2-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F542-0327 |
| Compound Name: | N-(2-{3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}ethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C22 H23 N5 O5 S |
| Smiles: | CC(C)N1C(C(Nc2cc(ccc12)c1nc(CCNS(c2ccc(C)cc2)(=O)=O)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7418 |
| logD: | 3.7237 |
| logSw: | -4.0502 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.233 |
| InChI Key: | JOTGCASIKOWWDQ-UHFFFAOYSA-N |