Basic information
- Standard SMILES
O=c1ccc2ccc(=O)n3c2n1CC3CN1CCC(NCc2cc3c(cn2)CCCC3)CC1- InChIKey
CLYVNLVGBVTDSA-UHFFFAOYSA-N- Molecular formula
- C26H31N5O2
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.24777525
Names & identifiers
- Preferred name
- 2-[[4-(5,6,7,8-Tetrahydroisoquinolin-3-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
- IUPAC
- 2-[[4-(5,6,7,8-tetrahydroisoquinolin-3-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Names & synonyms
SCHEMBL21372280
Database identifiers
- PubChem CID
- 77528880
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 887
Related reactions
1 records
Compound notes
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