N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,2-diethoxyethyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,2-diethoxyethyl)-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,2-diethoxyethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-5066 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-(2,2-diethoxyethyl)-beta-alaninamide |
| Molecular Weight: | 423.32 |
| Molecular Formula: | C15 H23 Br N2 O5 S |
| Smiles: | CCOC(CNC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 1.8255 |
| logD: | 1.8255 |
| logSw: | -2.466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.235 |
| InChI Key: | GGSQVULQWOMLQE-UHFFFAOYSA-N |