3-(4-chloro-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole
Chemical Structure Depiction of
3-(4-chloro-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole
3-(4-chloro-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole
Compound characteristics
| Compound ID: | 8019-7156 |
| Compound Name: | 3-(4-chloro-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole |
| Molecular Weight: | 479.87 |
| Molecular Formula: | C22 H22 Cl N O9 |
| Smiles: | COc1cc(CC2CC(c3c(c(c4c(c3[Cl])OCO4)OC)OC)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2493 |
| logD: | 4.2493 |
| logSw: | -5.0057 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.552 |
| InChI Key: | PSFWRNSHRNUBFQ-LLVKDONJSA-N |