N-{2-[3-(1-ethyl-2,3-dioxo-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-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
N-{2-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F542-0180 |
| Compound Name: | N-{2-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CCN1C(C(Nc2cc(ccc12)c1nc(CCNS(c2ccc(C)cc2)(=O)=O)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.394 |
| logD: | 3.375 |
| logSw: | -3.9401 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.237 |
| InChI Key: | DFKCCXYWHKPBDV-UHFFFAOYSA-N |