1-(3-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-(3-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-(3-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: | 8019-4354 |
| Compound Name: | 1-(3-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(CNCc3cccc(c3)[Cl])=NO2)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.823 |
| logD: | 3.7464 |
| logSw: | -4.1994 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | VMMKYXAPKKMPHY-KRWDZBQOSA-N |