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Basic information
- Standard SMILES
COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12- InChIKey
ITNZSAJKOIEQKM-UHFFFAOYSA-N- Molecular formula
- C24H22F3N5O
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.17764483
Names & identifiers
- Preferred name
- [8-(2-methoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridine-2-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine
- IUPAC
- N-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
Names & synonyms
[8-(2-methoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridine-2-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amineSCHEMBL2640553
Database identifiers
- PubChem CID
- 59612637
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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