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N-(1-amino-3-cyclohexylpropan-2-yl)-4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carboxamide (HCID 69096449)|Huagongshe
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Compound
N-(1-amino-3-cyclohexylpropan-2-yl)-4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carboxamide
HCID
69096449
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Basic information
Standard SMILES
Cn1ncc(Br)c1-c1cc(C(=O)NC(CN)CC2CCCCC2)sc1Cl
InChIKey
BXVXXCAHPLXWNJ-UHFFFAOYSA-N
Molecular formula
C18H24BrClN4OS
Average molar mass
459.8 g/mol
Monoisotopic mass
458.05427
Names & identifiers
Preferred name
N-(1-amino-3-cyclohexylpropan-2-yl)-4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carboxamide
IUPAC
N-(1-amino-3-cyclohexylpropan-2-yl)-4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carboxamide
Names & synonyms
SCHEMBL4566621
Database identifiers
PubChem CID
69096449
Properties
Computed structural properties
XLogP
5.1
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Formal charge
0
Complexity
482
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
298796
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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