Basic information
- CAS
63149-38-2- Standard SMILES
CCOC(=O)N1CCN(C2=C(C=Nc3ccccc3)CCC2=CNc2ccccc2)CC1- InChIKey
LJJCVHFNCVEXHX-UHFFFAOYSA-N- Molecular formula
- C26H30N4O2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.23687621
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-[5-[(phenylamino)methylene]-2-[(phenylimino)methyl]-1-cyclopenten-1-yl]-, ethyl ester
- IUPAC
- ethyl 4-[5-(anilinomethylidene)-2-(phenyliminomethyl)cyclopenten-1-yl]piperazine-1-carboxylate
Names & synonyms
1-Piperazinecarboxylic acid, 4-(5-((phenylamino)methylene)-2-((phenylimino)methyl)-1-cyclopenten-1-yl)-, ethyl ester1-Piperazinecarboxylic acid, 4-[5-[(phenylamino)methylene]-2-[(phenylimino)methyl]-1-cyclopenten-1-yl]-, ethyl esterDTXSID6069745RefChem:435783DTXCID404372763149-38-2LJJCVHFNCVEXHX-UHFFFAOYSA-NDB-3161324-[5-[(Phenylamino)methylene]-2-[(phenylimino)methyl ]-1-cyclopenten-1-yl ]-1-piperazinecarboxylic acid ethyl ester
Database identifiers
- CAS
63149-38-2- PubChem CID
- 112623
- DTXSID
DTXSID6069745
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 709
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinecarboxylic acid, 4-[5-[(phenylamino)methylene]-2-[(phenylimino)methyl]-1-cyclopenten-1-yl]-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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