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1-[4-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propen-1-one

HCID 72037530
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Basic information

CAS
1173600-02-6
Standard SMILES
Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIKey
MNADCDAQURGHPW-UHFFFAOYSA-N
Molecular formula
C27H27FN4O4
Average molar mass
490.5 g/mol
Monoisotopic mass
490.20163352

Names & identifiers

Preferred name
1-[4-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propen-1-one
IUPAC
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-en-1-one

Names & synonyms

DTXSID101102529AKOS0307425541-[4-[(2,3-Dihydro-1,4-benzodioxin-2-yl)carbonyl]-1-piperazinyl]-3-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propen-1-one1173600-02-6

Database identifiers

CAS
1173600-02-6
PubChem CID
72037530
DTXSID
DTXSID101102529

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
76.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
36
Formal charge
0
Complexity
812

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Compound notes

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