1-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine--hydrogen chloride (1/1)
1-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 5971-0045 |
| Compound Name: | 1-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}piperidine--hydrogen chloride (1/1) |
| Molecular Weight: | 492.49 |
| Molecular Formula: | C30 H30 Cl N O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1=C(C(=C/CN2CCCCC2)\C(c2ccccc2)c2ccccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.9274 |
| logD: | 7.6862 |
| logSw: | -6.7013 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 10.9017 |
| InChI Key: | JLYVNNLQOSECGB-OXWVMCNISA-N |