N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclopentylmethyl)-N-(2-methyltetrazol-5-yl)-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-5-amine

HCID 73005651
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Basic information

Standard SMILES
Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCN(CC3CCCC3)c3cc4c(cc32)COC4)n1
InChIKey
FIMOBMQLBHUGEN-UHFFFAOYSA-N
Molecular formula
C29H32F6N6O
Average molar mass
594.6 g/mol

Names & identifiers

Preferred name
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclopentylmethyl)-N-(2-methyltetrazol-5-yl)-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-5-amine
IUPAC
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclopentylmethyl)-N-(2-methyltetrazol-5-yl)-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-5-amine

Names & synonyms

SCHEMBL2474408

Database identifiers

PubChem CID
73005651

Properties

Computed structural properties

XLogP
7
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
42

Related reactions

1 records
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Compound notes

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