Basic information
- CAS
23770-94-7- Standard SMILES
COc1cc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)cc(OC)c1OC- InChIKey
IOCVBHKQZLDERB-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O4
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.165935
Names & identifiers
- Preferred name
- Piperazine, 1-(o-chlorophenyl)-4-(3,4,5-trimethoxyhydrocinnamoyl)-
- IUPAC
- 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Names & synonyms
Piperazine, 1-(o-chlorophenyl)-4-(3,4,5-trimethoxyhydrocinnamoyl)-23770-94-71-(o-Chlorophenyl)-4-(3,4,5-trimethoxyhydrocinnamoyl)piperazineDTXSID30178428N(sup 1)-(3,4,5-Trimethoxyhydrocinnamoyl)-N(sup 4)-(o-chlorophenyl)piperazineRefChem:372500DTXCID60100919MLS001172244CHEMBL1538842HMS2852E14AKOS0341443951-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Show more names
NCGC00246116-01SMR000588742Z30837501
Database identifiers
- CAS
23770-94-7- PubChem CID
- 64853
- DTXSID
DTXSID30178428- ChEMBL
CHEMBL1538842
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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