4-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine--hydrogen chloride (1/1)
4-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 5971-0044 |
| Compound Name: | 4-{2-[3-chloro-2-(4-methylphenyl)-5-phenyl-1-benzoxepin-4(5H)-ylidene]ethyl}morpholine--hydrogen chloride (1/1) |
| Molecular Weight: | 494.46 |
| Molecular Formula: | C29 H28 Cl N O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1=C(C(=C/CN2CCOCC2)\C(c2ccccc2)c2ccccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8204 |
| logD: | 6.8192 |
| logSw: | -6.692 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.8102 |
| InChI Key: | TXANAMIQWJXMDT-MFCBUNOESA-N |