methyl N-[2-(benzylsulfanyl)-4,6-dinitrobenzoyl]glycinate
Chemical Structure Depiction of
methyl N-[2-(benzylsulfanyl)-4,6-dinitrobenzoyl]glycinate
methyl N-[2-(benzylsulfanyl)-4,6-dinitrobenzoyl]glycinate
Compound characteristics
| Compound ID: | 8011-6657 |
| Compound Name: | methyl N-[2-(benzylsulfanyl)-4,6-dinitrobenzoyl]glycinate |
| Molecular Weight: | 405.38 |
| Molecular Formula: | C17 H15 N3 O7 S |
| Smiles: | COC(CNC(c1c(cc(cc1SCc1ccccc1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.436 |
| logD: | 2.4343 |
| logSw: | -2.79 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.693 |
| InChI Key: | MOGDMFFFHPGUKE-UHFFFAOYSA-N |