N-{1-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-4-methylbenzene-1-sulfonamide
N-{1-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | F542-0159 |
| Compound Name: | N-{1-[3-(1-ethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | CCN1C(C(Nc2cc(ccc12)c1nc(C(C(C)C)NS(c2ccc(C)cc2)(=O)=O)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5128 |
| logD: | 4.433 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.296 |
| InChI Key: | AHTHOOUFLHVZIL-IBGZPJMESA-N |