Basic information
- Standard SMILES
CCCCCN1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1- InChIKey
QMDAVBXCILMTKZ-UHFFFAOYSA-N- Molecular formula
- C21H27N3O2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.21032711
Names & identifiers
- Preferred name
- 6-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide
- IUPAC
- 6-[(2-pentyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)oxy]pyridine-3-carboxamide
Names & synonyms
CHEMBL2375066-(2-pentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamideSCHEMBL3705320QMDAVBXCILMTKZ-UHFFFAOYSA-NBDBM50226250PD092744
Database identifiers
- PubChem CID
- 44434072
- ChEMBL
CHEMBL237506
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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