N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alanine
N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | 6705-0229 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alanine |
| Molecular Weight: | 287.29 |
| Molecular Formula: | C11 H13 N O6 S |
| Smiles: | C(CNS(c1ccc2c(c1)OCCO2)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4648 |
| logD: | -3.3237 |
| logSw: | -1.8254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.317 |
| InChI Key: | MBRBEMMVLHFBCE-UHFFFAOYSA-N |