Basic information
- Standard SMILES
COc1ccccc1N1CCN(CCCCC23CCCc4cccc(c42)NC3=O)CC1- InChIKey
MUBNQYJQCBLICS-UHFFFAOYSA-N- Molecular formula
- C26H33N3O2
- Average molar mass
- 419.6 g/mol
Names & identifiers
- Preferred name
- 2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
- IUPAC
- 2a-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
Names & synonyms
CHEMBL12702SCHEMBL6160952MUBNQYJQCBLICS-UHFFFAOYSA-NBDBM504037772a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one2a-[4-{4-(2-Methoxyphenyl)piperazinyl}butyl]-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H) -one
Database identifiers
- PubChem CID
- 9845006
- ChEMBL
CHEMBL12702- Nikkaji
- J1.324.462F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
5 records
Compound notes
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