Basic information
- Standard SMILES
COC(=O)C=Cc1cccc(C(c2ccc(Cl)cc2)N2CCN(C)CC2)c1- InChIKey
ZTKLZTUWHNBMLA-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O2
- Average molar mass
- 384.9 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate
- IUPAC
- methyl 3-[3-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate
Database identifiers
- PubChem CID
- 54565324
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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