N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
Chemical Structure Depiction of
N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1)
Compound characteristics
| Compound ID: | 8019-7174 |
| Compound Name: | N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(5-methoxy-1H-indol-3-yl)ethan-1-amine--oxalic acid (2/1) |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C24 H27 N3 O5 |
| Salt: | 0.5HOOCCOOH |
| Smiles: | COc1ccc2c(c1)c(CCNCC1CC(Cc3cc(c4c(c3)OCO4)OC)ON=1)c[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3801 |
| logD: | 3.0915 |
| logSw: | -3.5276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.43 |
| InChI Key: | KMYXWLPMTTVNRE-IBGZPJMESA-N |