ethyl 4-{[benzyl(3-nitrobenzene-1-sulfonyl)amino]methyl}benzoate
Chemical Structure Depiction of
ethyl 4-{[benzyl(3-nitrobenzene-1-sulfonyl)amino]methyl}benzoate
ethyl 4-{[benzyl(3-nitrobenzene-1-sulfonyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | K783-0671 |
| Compound Name: | ethyl 4-{[benzyl(3-nitrobenzene-1-sulfonyl)amino]methyl}benzoate |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C23 H22 N2 O6 S |
| Smiles: | CCOC(c1ccc(CN(Cc2ccccc2)S(c2cccc(c2)[N+]([O-])=O)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0692 |
| logD: | 5.0692 |
| logSw: | -4.7983 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.478 |
| InChI Key: | GPHKGYXEYKNQHK-UHFFFAOYSA-N |