N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine
Chemical Structure Depiction of
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine
N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine
Compound characteristics
| Compound ID: | 8019-7192 |
| Compound Name: | N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)-2-(thiophen-2-yl)ethan-1-amine |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | COc1cc(CC2CC(CNCCc3cccs3)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9127 |
| logD: | 2.8092 |
| logSw: | -3.3248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.435 |
| InChI Key: | OSCOFMREDIAOKV-OAHLLOKOSA-N |