Basic information
- CAS
184691-31-4- Standard SMILES
Cn1c(C(=O)O)c(CC(=O)NCCN2CCN(c3ccccc3)CC2)c2ccccc21- InChIKey
LPQSNLJWGQDBIE-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21614077
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 1-methyl-3-(2-oxo-2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)ethyl)-
- IUPAC
- 1-methyl-3-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]indole-2-carboxylic acid
Names & synonyms
1H-Indole-2-carboxylic acid, 1-methyl-3-(2-oxo-2-((2-(4-phenyl-1-piperazinyl)ethyl)amino)ethyl)-184691-31-4DTXSID90171612RefChem:238953DTXCID50941031-Methyl-3-(2-oxo-2-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}ethyl)-1H-indole-2-carboxylic acid
Database identifiers
- CAS
184691-31-4- PubChem CID
- 3075498
- DTXSID
DTXSID90171612- Nikkaji
- J796.822A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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