[(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl 4-(3,4-dichlorobenzamido)benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
[(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl 4-(3,4-dichlorobenzamido)benzoate--hydrogen chloride (1/1)
[(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl 4-(3,4-dichlorobenzamido)benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y508-0713 |
| Compound Name: | [(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl 4-(3,4-dichlorobenzamido)benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 497.85 |
| Molecular Formula: | C24 H26 Cl2 N2 O3 |
| Salt: | HCl |
| Smiles: | [H][C@@]12CCCCN2CCC[C@H]1COC(c1ccc(cc1)NC(c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1878 |
| logD: | 2.1741 |
| logSw: | -5.8893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.538 |
| InChI Key: | LDMHMMCRJKBPKT-PGRDOPGGSA-N |