methyl N-[2,4-dinitro-6-(phenylmethanesulfinyl)benzoyl]glycinate
Chemical Structure Depiction of
methyl N-[2,4-dinitro-6-(phenylmethanesulfinyl)benzoyl]glycinate
methyl N-[2,4-dinitro-6-(phenylmethanesulfinyl)benzoyl]glycinate
Compound characteristics
| Compound ID: | 8011-9698 |
| Compound Name: | methyl N-[2,4-dinitro-6-(phenylmethanesulfinyl)benzoyl]glycinate |
| Molecular Weight: | 421.38 |
| Molecular Formula: | C17 H15 N3 O8 S |
| Smiles: | COC(CNC(c1c(cc(cc1S(Cc1ccccc1)=O)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4878 |
| logD: | 1.4845 |
| logSw: | -2.5492 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.105 |
| InChI Key: | AVURSUJRCUNIAL-UHFFFAOYSA-N |