4-({4-nitro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({4-nitro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
4-({4-nitro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V012-0418 |
| Compound Name: | 4-({4-nitro-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C20 H22 N2 O7 S |
| Smiles: | CS(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0067 |
| logD: | 2.0067 |
| logSw: | -2.5759 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.363 |
| InChI Key: | NFJGAAHWTWFFLB-LJQANCHMSA-N |