2-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--hydrogen chloride (1/1)
2-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-4359 |
| Compound Name: | 2-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C22 H25 Cl N2 O5 |
| Salt: | HCl |
| Smiles: | COc1cc(CC2CC(CNCCc3ccc(cc3)[Cl])=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5484 |
| logD: | 3.2693 |
| logSw: | -3.8618 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.417 |
| InChI Key: | UNBXFNZBWGRPDV-SFHVURJKSA-N |