N~3~-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-beta-alaninamide
N~3~-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y032-4479 |
| Compound Name: | N~3~-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-beta-alaninamide |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C17 H18 N2 O5 S |
| Smiles: | C(CNS(c1ccccc1)(=O)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3065 |
| logD: | 1.3062 |
| logSw: | -2.3857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.811 |
| InChI Key: | QJIALVLSRIJXJH-UHFFFAOYSA-N |