Basic information
- CAS
334974-35-5- Standard SMILES
O=[N+]([O-])c1cccc(CN2CCN(c3cccc4[nH]ccc34)CC2)c1- InChIKey
FGQUVUATGFAKAH-UHFFFAOYSA-N- Molecular formula
- C19H20N4O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15862589
Names & identifiers
- Preferred name
- 4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-indole
- IUPAC
- 4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-indole
Names & synonyms
334974-35-54-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-1H-indole4-[4-(3-nitrobenzyl)piperazino]-1H-indole4-{4-[(3-NITROPHENYL)METHYL]PIPERAZIN-1-YL}-1H-INDOLEOprea1_304218MLS001182195SCHEMBL2162396CHEMBL1319671DTXSID201319777HMS2867B19SMR000567920
Database identifiers
- CAS
334974-35-5- PubChem CID
- 2729520
- DTXSID
DTXSID201319777- ChEMBL
CHEMBL1319671
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility44 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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