1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]methanamine
Chemical Structure Depiction of
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]methanamine
1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]methanamine
Compound characteristics
| Compound ID: | 8019-6208 |
| Compound Name: | 1-{5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]methanamine |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C21 H28 N4 O5 |
| Smiles: | CCn1cc(CNCC2CC(Cc3cc(c4c(c3OC)OCO4)OC)ON=2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0249 |
| logD: | -2.0585 |
| logSw: | -2.2869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.43 |
| InChI Key: | CBDGBVAQYVFIMX-KRWDZBQOSA-N |