1-(4-chlorophenyl)-N-{[5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-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)-4-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)-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl}methanamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-7161 |
| Compound Name: | 1-(4-chlorophenyl)-N-{[5-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-4-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: | CC1C(c2cc(c3c(c2OC)OCO3)OC)ON=C1CNCc1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5908 |
| logD: | 3.5829 |
| logSw: | -3.8773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.146 |
| InChI Key: | RFNMMGDMDRSNEJ-UHFFFAOYSA-N |