7-chloro-6-[(2-cyclohexyl-benzothiazol-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HCID 86629634
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Basic information

Standard SMILES
O=C(N1CCc2ccc(Cl)c(NCc3ccc4nc(C5CCCCC5)sc4c3)c2CC1)C(F)(F)F
InChIKey
WPDKISCZLANSTO-UHFFFAOYSA-N
Molecular formula
C26H27ClF3N3OS
Average molar mass
522 g/mol

Names & identifiers

Preferred name
7-chloro-6-[(2-cyclohexyl-benzothiazol-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
IUPAC
1-[7-chloro-6-[(2-cyclohexyl-1,3-benzothiazol-6-yl)methylamino]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone

Names & synonyms

7-chloro-6-[(2-cyclohexyl-benzothiazol-6-yl-methyl)-amino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepineSCHEMBL507473

Database identifiers

PubChem CID
86629634

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
73.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
35

Related reactions

3 records
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Compound notes

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