5-[[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid

HCID 73029979
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Basic information

Standard SMILES
Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCN(Cc3ccc(C(=O)O)s3)c3cc4c(cc32)COC4)n1
InChIKey
ZDKDDGYIIGDYRT-UHFFFAOYSA-N
Molecular formula
C29H26F6N6O3S
Average molar mass
652.6 g/mol

Names & identifiers

Preferred name
5-[[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid
IUPAC
5-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid

Names & synonyms

SCHEMBL1380877ZDKDDGYIIGDYRT-UHFFFAOYSA-N5-[[5-[[3,5-Bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2,3,4,5,7,9-hexahydrofuro[3,4-h][1]benzazepin-1-yl]methyl]thiophene-2-carboxylic acid

Database identifiers

PubChem CID
73029979

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
15
Rotatable bonds
7
Heavy atoms
45

Related reactions

1 records
New reaction record

Compound notes

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