Basic information
- Standard SMILES
COc1nnc2n1C=Cc1ccccc1C2c1ccccc1- InChIKey
HQCXJRWMVKKWTJ-UHFFFAOYSA-N- Molecular formula
- C18H15N3O
- Average molar mass
- 289.3 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-11-phenyl-11H-s-triazolo[3,4-b][3]benzazepine
- IUPAC
- 3-methoxy-11-phenyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine
Names & synonyms
SCHEMBL11551394HQCXJRWMVKKWTJ-UHFFFAOYSA-N3-methoxy-11-phenyl-11H-s-triazolo[3,4-b][3]benzazepine
Database identifiers
- PubChem CID
- 21323398
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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