Basic information
- Standard SMILES
Cc1cccc(CN2CCN(C3c4ccccc4CCc4ncccc43)CC2)c1- InChIKey
YHXXEMMDKAAHFN-UHFFFAOYSA-N- Molecular formula
- C26H29N3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.23614794
Names & identifiers
- Preferred name
- 2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
- IUPAC
- 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Names & synonyms
DTXSID3013842582-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
Database identifiers
- PubChem CID
- 36686
- DTXSID
DTXSID301384258
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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