Basic information
- Standard SMILES
O=C(C1=C(Cl)CCN(Cc2ccccc2)CC1)c1ccccc1- InChIKey
LLQKDUDOHMJNDL-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO
- Average molar mass
- 325.8 g/mol
Names & identifiers
- Preferred name
- (1-benzyl-5-chloro-2,3,6,7-tetrahydro-1H-azepin-4-yl)-phenyl-methanone
- IUPAC
- (1-benzyl-5-chloro-2,3,6,7-tetrahydroazepin-4-yl)-phenylmethanone
Names & synonyms
SCHEMBL4788730LLQKDUDOHMJNDL-UHFFFAOYSA-N(1-benzyl-5-chloro-2,3,6,7-tetrahydro-1H-azepin-4-yl)-phenyl-methanone
Database identifiers
- PubChem CID
- 69190815
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
4 records
Compound notes
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