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(Rac) -AMG8379

CAT: 0127-BUP09096-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09096-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1641574-26-6
Synonyms
(Rac) -AMG8380
Purity
=98%
Smiles
O=C1N(C=2C(=CC(S(NC=3C=CON3)(=O)=O)=CC2)C=C1)C4=C(OC)C=C(C(F)=C4)C5=CC(Cl)=CC(F)=C5

Chemical Information

(Rac)-AMG8379
CAS Number1641574-26-6
PubChem CID117737142
IUPAC Name1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
Molecular FormulaC25H16ClF2N3O5S
Molecular Weight543.9
XLogP4.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity968
SMILES
COC1=C(C=C(C(=C1)C2=CC(=CC(=C2)Cl)F)F)N3C4=C(C=CC3=O)C=C(C=C4)S(=O)(=O)NC5=NOC=C5
InChI
InChI=1S/C25H16ClF2N3O5S/c1-35-23-12-19(15-8-16(26)11-17(27)9-15)20(28)13-22(23)31-21-4-3-18(10-14(21)2-5-25(31)32)37(33,34)30-24-6-7-36-29-24/h2-13H,1H3,(H,29,30)
InChIKey
HXQNEKJQBGXFAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-AMG8379
CAS: 1641574-26-6
CID: 117737142
Formula: C25H16ClF2N3O5S
MW: 543.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.9
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass543.0467258
Monoisotopic Mass543.0467258
Topological Polar Surface Area110 Ų
Heavy Atom Count37
Formal Charge0
Complexity968
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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