N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
Chemical Structure Depiction of
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-7168 |
| Compound Name: | N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1) |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C25 H29 N3 O5 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | Cc1c(CCNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)c2ccccc2[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4719 |
| logD: | 3.292 |
| logSw: | -3.8775 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.343 |
| InChI Key: | IMEROYFLGMIYSD-SFHVURJKSA-N |