2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 5971-0043 |
| Compound Name: | 2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]-N,N-dimethylethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 452.42 |
| Molecular Formula: | C27 H26 Cl N O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1=C(C(=C/CN(C)C)\C(c2ccccc2)c2ccccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9572 |
| logD: | 6.7848 |
| logSw: | -6.6989 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 11.0564 |
| InChI Key: | SKHITEJNZGODQD-PBMMVTTKSA-N |