1-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)methanamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)methanamine--hydrogen chloride (1/1)
1-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)methanamine--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 8019-4356 |
Compound Name: | 1-(4-chlorophenyl)-N-({5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)methanamine--hydrogen chloride (1/1) |
Molecular Weight: | 455.34 |
Molecular Formula: | C21 H23 Cl N2 O5 |
Salt: | HCl |
Smiles: | COc1cc(CC2CC(CNCc3ccc(cc3)[Cl])=NO2)c(c2c1OCO2)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7204 |
logD: | 3.6687 |
logSw: | -4.2047 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.575 |
InChI Key: | KSIGJMIVEPCDIA-KRWDZBQOSA-N |