{[4-({[(4-methoxyphenyl)methyl](3-nitrobenzene-1-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide
Chemical Structure Depiction of
{[4-({[(4-methoxyphenyl)methyl](3-nitrobenzene-1-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide
{[4-({[(4-methoxyphenyl)methyl](3-nitrobenzene-1-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide
Compound characteristics
| Compound ID: | K783-4074 |
| Compound Name: | {[4-({[(4-methoxyphenyl)methyl](3-nitrobenzene-1-sulfonyl)amino}methyl)cyclohexane-1-carbonyl]amino}oxidanide |
| Molecular Weight: | 499.52 |
| Molecular Formula: | C22 H26 N3 O7 S |
| Salt: | Na+ |
| Smiles: | COc1ccc(CN(CC2CCC(CC2)C(N[O-])=O)S(c2cccc(c2)[N+]([O-])=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2613 |
| logD: | 3.2613 |
| logSw: | -3.668 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.385 |
| InChI Key: | BLLDPQSLOCXXTB-UHFFFAOYSA-N |