Basic information
- Standard SMILES
O=C(N1CCc2ccc(Cl)c(NCc3ccc4ncsc4c3)c2CC1)C(F)(F)F- InChIKey
JXAIZZIFFGIOGK-UHFFFAOYSA-N- Molecular formula
- C20H17ClF3N3OS
- Average molar mass
- 439.9 g/mol
Names & identifiers
- Preferred name
- 6-[(benzothiazol-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 1-[6-(1,3-benzothiazol-6-ylmethylamino)-7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
6-[(benzothiazol-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL5076716-[(benzothiazol-6-yl-methyl)-amino]-7-chloro-3-(2,2,2-trifluoro acetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Database identifiers
- PubChem CID
- 86629633
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 596
Related reactions
3 records
Linked notes
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