4-{[N-(butan-2-yl)-4-nitrobenzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-4-nitrobenzamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-4-nitrobenzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-2106 |
| Compound Name: | 4-{[N-(butan-2-yl)-4-nitrobenzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6561 |
| logD: | 3.6561 |
| logSw: | -3.7855 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.268 |
| InChI Key: | SKVUDYTVHMLGAX-HNNXBMFYSA-N |