1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(4-methoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(4-methoxyphenyl)methyl]methanamine--oxalic acid (1/1)
1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(4-methoxyphenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8020-1996 |
| Compound Name: | 1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(4-methoxyphenyl)methyl]methanamine--oxalic acid (1/1) |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C21 H24 N2 O5 |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CNCC2CC(Cc3cc(c4c(c3)OCO4)OC)ON=2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1644 |
| logD: | 3.0683 |
| logSw: | -3.2772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.718 |
| InChI Key: | CVFBJRSNXBLNBR-SFHVURJKSA-N |