ethyl N-[(2,6-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alaninate
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3380 |
| Compound Name: | ethyl N-[(2,6-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-beta-alaninate |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C20 H21 Cl2 N O6 S |
| Smiles: | CCOC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6626 |
| logD: | 3.6626 |
| logSw: | -3.9299 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.574 |
| InChI Key: | QWSQRTFNNDLXHG-UHFFFAOYSA-N |