ethyl N-(4-tert-butylbenzene-1-sulfonyl)-N-[(2,6-dichlorophenyl)methyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-(4-tert-butylbenzene-1-sulfonyl)-N-[(2,6-dichlorophenyl)methyl]-beta-alaninate
ethyl N-(4-tert-butylbenzene-1-sulfonyl)-N-[(2,6-dichlorophenyl)methyl]-beta-alaninate
Compound characteristics
| Compound ID: | K783-3379 |
| Compound Name: | ethyl N-(4-tert-butylbenzene-1-sulfonyl)-N-[(2,6-dichlorophenyl)methyl]-beta-alaninate |
| Molecular Weight: | 472.43 |
| Molecular Formula: | C22 H27 Cl2 N O4 S |
| Smiles: | CCOC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(cc1)C(C)(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4132 |
| logD: | 6.4132 |
| logSw: | -6.2002 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.751 |
| InChI Key: | GHKPICQSXZNBOU-UHFFFAOYSA-N |