2,7-bis[(dimethylamino)methyl]-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione--hydrogen chloride (1/2)
Chemical Structure Depiction of
2,7-bis[(dimethylamino)methyl]-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione--hydrogen chloride (1/2)
2,7-bis[(dimethylamino)methyl]-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 3908-2290 |
| Compound Name: | 2,7-bis[(dimethylamino)methyl]-1,8-bis[4-(pentyloxy)phenyl]octane-1,8-dione--hydrogen chloride (1/2) |
| Molecular Weight: | 653.77 |
| Molecular Formula: | C36 H56 N2 O4 |
| Salt: | 2HCl |
| Smiles: | CCCCCOc1ccc(cc1)C(C(CCCCC(CN(C)C)C(c1ccc(cc1)OCCCCC)=O)CN(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2728 |
| logD: | 7.9153 |
| logSw: | -5.7521 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.054 |
| InChI Key: | DCCVKJJGCWASFE-UHFFFAOYSA-N |