sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(3,4-dimethoxyphenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Chemical Structure Depiction of
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(3,4-dimethoxyphenyl)methyl]-N-oxido-beta-alaninamide (1/1)
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(3,4-dimethoxyphenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Compound characteristics
| Compound ID: | K783-3374 |
| Compound Name: | sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(3,4-dimethoxyphenyl)methyl]-N-oxido-beta-alaninamide (1/1) |
| Molecular Weight: | 495.32 |
| Molecular Formula: | C18 H20 Br N2 O6 S |
| Salt: | Na+ |
| Smiles: | COc1ccc(CN(CCC(N[O-])=O)S(c2ccc(cc2)[Br])(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.056 |
| logD: | 2.056 |
| logSw: | -2.8216 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.565 |
| InChI Key: | ZDQCTEMWYUUNIV-UHFFFAOYSA-N |