sodium--[4-({[(4-bromophenyl)methyl](3-chloro-2-methylbenzene-1-sulfonyl)amino}methyl)benzamido]oxidanide (1/1)
Chemical Structure Depiction of
sodium--[4-({[(4-bromophenyl)methyl](3-chloro-2-methylbenzene-1-sulfonyl)amino}methyl)benzamido]oxidanide (1/1)
sodium--[4-({[(4-bromophenyl)methyl](3-chloro-2-methylbenzene-1-sulfonyl)amino}methyl)benzamido]oxidanide (1/1)
Compound characteristics
| Compound ID: | K783-3737 |
| Compound Name: | sodium--[4-({[(4-bromophenyl)methyl](3-chloro-2-methylbenzene-1-sulfonyl)amino}methyl)benzamido]oxidanide (1/1) |
| Molecular Weight: | 545.81 |
| Molecular Formula: | C22 H19 Br Cl N2 O4 S |
| Salt: | Na+ |
| Smiles: | Cc1c(cccc1[Cl])S(N(Cc1ccc(cc1)C(N[O-])=O)Cc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5621 |
| logD: | 4.5621 |
| logSw: | -4.3795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.267 |
| InChI Key: | NBYFRCSXJRSWGO-UHFFFAOYSA-N |