4-({2-chloro-N-[(furan-2-yl)methyl]-4-nitrobenzamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({2-chloro-N-[(furan-2-yl)methyl]-4-nitrobenzamido}methyl)phenyl methanesulfonate
4-({2-chloro-N-[(furan-2-yl)methyl]-4-nitrobenzamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V012-1557 |
| Compound Name: | 4-({2-chloro-N-[(furan-2-yl)methyl]-4-nitrobenzamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 464.88 |
| Molecular Formula: | C20 H17 Cl N2 O7 S |
| Smiles: | CS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(c2ccc(cc2[Cl])[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3265 |
| logD: | 3.3265 |
| logSw: | -3.8677 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.457 |
| InChI Key: | FYFRUQYZOADODE-UHFFFAOYSA-N |