ethyl 5-[(4,7-dimethoxy-6-nitro-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4,7-dimethoxy-6-nitro-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
ethyl 5-[(4,7-dimethoxy-6-nitro-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | 8019-5368 |
| Compound Name: | ethyl 5-[(4,7-dimethoxy-6-nitro-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 382.32 |
| Molecular Formula: | C16 H18 N2 O9 |
| Smiles: | CCOC(C1CC(Cc2c(c(c3c(c2OC)OCO3)OC)[N+]([O-])=O)ON=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7164 |
| logD: | 2.7164 |
| logSw: | -2.7652 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 108.526 |
| InChI Key: | DEQQFKUWXYUHCY-QMMMGPOBSA-N |