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BRD9092

CAT: 0127-BUP03931-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03931-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330662-92-5
Synonyms
BRD-9092, BRD 9092
Purity
=98%
Smiles
O=C1NC=2C=CC(Cl)=CC2C(C=3C=CC=CC3)=C1C4=NN(C(=O)C)C(C=5OC=CC5)C4

Chemical Information

3-[1-acetyl-5-(2-furyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-2(1H)-quinolinone
CAS Number330662-92-5
PubChem CID2872493
IUPAC Name3-[2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
Molecular FormulaC24H18ClN3O3
Molecular Weight431.9
XLogP3.2
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity804
SMILES
CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=CO5
InChI
InChI=1S/C24H18ClN3O3/c1-14(29)28-20(21-8-5-11-31-21)13-19(27-28)23-22(15-6-3-2-4-7-15)17-12-16(25)9-10-18(17)26-24(23)30/h2-12,20H,13H2,1H3,(H,26,30)
InChIKey
AVIBQVYHMOXFCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[1-acetyl-5-(2-furyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-2(1H)-quinolinone
CAS: 330662-92-5
CID: 2872493
Formula: C24H18ClN3O3
MW: 431.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass431.1036691
Monoisotopic Mass431.1036691
Topological Polar Surface Area74.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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