sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-fluorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Chemical Structure Depiction of
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-fluorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-fluorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Compound characteristics
| Compound ID: | K783-3408 |
| Compound Name: | sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-fluorophenyl)methyl]-N-oxido-beta-alaninamide (1/1) |
| Molecular Weight: | 453.26 |
| Molecular Formula: | C16 H15 Br F N2 O4 S |
| Salt: | Na+ |
| Smiles: | C(CN(Cc1ccc(cc1)F)S(c1ccc(cc1)[Br])(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5121 |
| logD: | 2.5121 |
| logSw: | -2.7691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.304 |
| InChI Key: | WMXZOZSCEGQQQU-UHFFFAOYSA-N |