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[Rac]-1-(4-{2-[2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2h-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

HCID 45110643
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C1(Oc2ccc(NC(=O)C(c3c4c(nn3-c3ccc(Cl)cc3)CCCC4)C3CCCCC3)c(F)c2)CC1
InChIKey
QNWBWRSPPIJWDQ-UHFFFAOYSA-N
Molecular formula
C32H35ClFN3O4
Average molar mass
580.1 g/mol

Names & identifiers

Preferred name
[Rac]-1-(4-{2-[2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2h-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester
IUPAC
methyl 1-[4-[[2-[2-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-cyclohexylacetyl]amino]-3-fluorophenoxy]cyclopropane-1-carboxylate

Names & synonyms

SCHEMBL1712478QNWBWRSPPIJWDQ-UHFFFAOYSA-N[rac]-1-(4-{2-[2-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2h-indazol-3-yl]-2-cyclohexyl-acetylamino}-3-fluoro-phenoxy)-cyclopropanecarboxylic acid methyl ester

Database identifiers

PubChem CID
45110643

Properties

Computed structural propertiesFilling in

XLogP
7.7
Topological polar surface area
82.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
41
Formal charge
0
Complexity
923

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Related reactions

2 records
New reaction record
HRID 1678637 reaction equation
HRID 1678637As productuspto-grants-2011_08
HRID 1678638 reaction equation
HRID 1678638As reactantuspto-grants-2011_08

Compound notes

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