Basic information
- Standard SMILES
Clc1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1- InChIKey
HOOTVSBTRUUSML-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.12949
Names & identifiers
- Preferred name
- 7-[(5-Chloro-2-pyrazinyl)oxy]-3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 7-(5-chloropyrazin-2-yl)oxy-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
Names & synonyms
SCHEMBL3090151HOOTVSBTRUUSML-UHFFFAOYSA-N7-[(5-Chloro-2-pyrazinyl)oxy]-3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 10404342
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
10 records
Compound notes
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