1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis(1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium)--chloride (1/2)
Chemical Structure Depiction of
1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis(1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium)--chloride (1/2)
1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis(1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium)--chloride (1/2)
Compound characteristics
| Compound ID: | 6042-0038 |
| Compound Name: | 1,1'-[(2-hydroxy-5-methyl-1,3-phenylene)bis(methylene)]bis(1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decan-1-ium)--chloride (1/2) |
| Molecular Weight: | 485.46 |
| Molecular Formula: | C21 H34 N8 O |
| Salt: | 2Cl- |
| Smiles: | Cc1cc(C[N+]23CN4CN(CN(C4)C3)C2)c(c(C[N+]23CN4CN(CN(C4)C3)C2)c1)O |
| Stereo: | ACHIRAL |
| logP: | 2.639 |
| logD: | 2.639 |
| logSw: | -2.2208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.825 |
| InChI Key: | QIXPGEPNMMBNEF-UHFFFAOYSA-O |