sodium--{[4-({[(4-chlorophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Chemical Structure Depiction of
sodium--{[4-({[(4-chlorophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
sodium--{[4-({[(4-chlorophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Compound characteristics
| Compound ID: | K783-3922 |
| Compound Name: | sodium--{[4-({[(4-chlorophenyl)methyl](2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1) |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C23 H26 Cl N2 O6 S |
| Salt: | Na+ |
| Smiles: | C1CC(CCC1CN(Cc1ccc(cc1)[Cl])S(c1ccc2c(c1)OCCO2)(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0572 |
| logD: | 3.0572 |
| logSw: | -3.4688 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.283 |
| InChI Key: | BUBNAOVSYWKRIJ-UHFFFAOYSA-N |