6-chloro-7,8-dihydroxy-1-phenyl-3-(p-trifluoromethylbenzoyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

HCID 12909760
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Basic information

Standard SMILES
O=C(c1ccc(C(F)(F)F)cc1)N1CCc2c(cc(O)c(O)c2Cl)C(c2ccccc2)C1
InChIKey
VVKDXZNUFRQCEZ-UHFFFAOYSA-N
Molecular formula
C24H19ClF3NO3
Average molar mass
461.9 g/mol

Names & identifiers

Preferred name
6-chloro-7,8-dihydroxy-1-phenyl-3-(p-trifluoromethylbenzoyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
IUPAC
(9-chloro-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[4-(trifluoromethyl)phenyl]methanone

Names & synonyms

6-chloro-7,8-dihydroxy-1-phenyl-3-(p-trifluoromethylbenzoyl)-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL11247950

Database identifiers

PubChem CID
12909760

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
60.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
32

Related reactions

4 records
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Compound notes

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