1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(oxan-4-yl)methyl]methanamine--hydrogen chloride (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-[(oxan-4-yl)methyl]methanamine--hydrogen chloride (1/1)
1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(oxan-4-yl)methyl]methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-7175 |
| Compound Name: | 1-{5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(oxan-4-yl)methyl]methanamine--hydrogen chloride (1/1) |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C19 H26 N2 O5 |
| Salt: | HCl |
| Smiles: | COc1cc(CC2CC(CNCC3CCOCC3)=NO2)cc2c1OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5892 |
| logD: | 1.7731 |
| logSw: | -2.7753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.274 |
| InChI Key: | MKSDHDCWWWKTFP-INIZCTEOSA-N |