5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole--oxalic acid (2/1)
Chemical Structure Depiction of
5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole--oxalic acid (2/1)
5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-4420 |
| Compound Name: | 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-3-[(pyrrolidin-1-yl)methyl]-4,5-dihydro-1,2-oxazole--oxalic acid (2/1) |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C18 H24 N2 O5 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1cc(CC2CC(CN3CCCC3)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.444 |
| logD: | 1.9071 |
| logSw: | -2.5613 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.908 |
| InChI Key: | QNKJTYMHRFCMOZ-AWEZNQCLSA-N |