3-({N-[(furan-2-yl)methyl]-3-nitrobenzamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]-3-nitrobenzamido}methyl)phenyl methanesulfonate
3-({N-[(furan-2-yl)methyl]-3-nitrobenzamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-5929 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]-3-nitrobenzamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C20 H18 N2 O7 S |
| Smiles: | CS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(c2cccc(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7955 |
| logD: | 2.7955 |
| logSw: | -3.4551 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.457 |
| InChI Key: | PDFWNFWHNPWXOM-UHFFFAOYSA-N |