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Basic information
- Standard SMILES
CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12- InChIKey
ICGXSNLREWIACC-UHFFFAOYSA-N- Molecular formula
- C28H30F3N5O3S
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 573.2021455
Names & identifiers
- Preferred name
- [8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(2-methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine
- IUPAC
- N-[8-[2-ethoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(2-methylsulfonylethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-amine
Names & synonyms
[8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(2-methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amineSCHEMBL2640408CHEMBL3645037BDBM99804US8501936, 320[8-(2-ethoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(2-methanesulfonyl-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7yl)-amine
Database identifiers
- PubChem CID
- 59612422
- ChEMBL
CHEMBL3645037
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 935
Related reactions
3 records
Compound notes
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