N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
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-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-7151 |
| Compound Name: | N-({5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C19 H22 N2 O4 S |
| Salt: | HCl |
| Smiles: | COc1cc(CC2CC(CNCCc3cccs3)=NO2)cc2c1OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9691 |
| logD: | 2.8656 |
| logSw: | -3.3041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.034 |
| InChI Key: | JYJUOPNYUOOJCS-HNNXBMFYSA-N |