sodium--{[4-({(4-bromobenzene-1-sulfonyl)[(2,6-dichlorophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Chemical Structure Depiction of
sodium--{[4-({(4-bromobenzene-1-sulfonyl)[(2,6-dichlorophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
sodium--{[4-({(4-bromobenzene-1-sulfonyl)[(2,6-dichlorophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Compound characteristics
| Compound ID: | K783-1639 |
| Compound Name: | sodium--{[4-({(4-bromobenzene-1-sulfonyl)[(2,6-dichlorophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1) |
| Molecular Weight: | 572.28 |
| Molecular Formula: | C21 H22 Br Cl2 N2 O4 S |
| Salt: | Na+ |
| Smiles: | C1CC(CCC1CN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(cc1)[Br])(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4412 |
| logD: | 5.4412 |
| logSw: | -5.6444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.46 |
| InChI Key: | DKVQVLLBMVQKNF-UHFFFAOYSA-N |