1-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)azepane--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)azepane--hydrogen chloride (1/1)
1-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)azepane--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-7200 |
| Compound Name: | 1-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)azepane--hydrogen chloride (1/1) |
| Molecular Weight: | 412.91 |
| Molecular Formula: | C20 H28 N2 O5 |
| Salt: | HCl |
| Smiles: | COc1cc(CC2CC(CN3CCCCCC3)=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3201 |
| logD: | 3.0549 |
| logSw: | -3.2574 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.873 |
| InChI Key: | VNDUAOKBTMOHMM-INIZCTEOSA-N |