methyl N-[3-(benzyloxy)-4-methyl-2-nitrobenzoyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[3-(benzyloxy)-4-methyl-2-nitrobenzoyl]-beta-alaninate
methyl N-[3-(benzyloxy)-4-methyl-2-nitrobenzoyl]-beta-alaninate
Compound characteristics
| Compound ID: | 8003-3052 |
| Compound Name: | methyl N-[3-(benzyloxy)-4-methyl-2-nitrobenzoyl]-beta-alaninate |
| Molecular Weight: | 372.38 |
| Molecular Formula: | C19 H20 N2 O6 |
| Smiles: | Cc1ccc(C(NCCC(=O)OC)=O)c(c1OCc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3494 |
| logD: | 3.3494 |
| logSw: | -3.8024 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.524 |
| InChI Key: | ZELSBDVFKNERNW-UHFFFAOYSA-N |