sodium--{[4-({(4-aminobenzene-1-sulfonyl)[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Chemical Structure Depiction of
sodium--{[4-({(4-aminobenzene-1-sulfonyl)[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
sodium--{[4-({(4-aminobenzene-1-sulfonyl)[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1)
Compound characteristics
| Compound ID: | K783-4066 |
| Compound Name: | sodium--{[4-({(4-aminobenzene-1-sulfonyl)[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide (1/1) |
| Molecular Weight: | 518.4 |
| Molecular Formula: | C21 H25 Br N3 O4 S |
| Salt: | Na+ |
| Smiles: | C1CC(CCC1CN(Cc1cccc(c1)[Br])S(c1ccc(cc1)N)(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0365 |
| logD: | 3.0365 |
| logSw: | -3.4786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.266 |
| InChI Key: | QDNZFXNNPCUXBM-UHFFFAOYSA-N |