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OICR-8268 5mg

CAT: 0628-A24254-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24254-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3000549-26-5

Chemical Information

(S)-N-(3-Amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl)-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CAS Number3000549-26-5
PubChem CID166625099
IUPAC NameN-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-5-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
Molecular FormulaC19H14Cl2F2N4O2
Molecular Weight439.2
XLogP3
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity603
SMILES
C1=CC(=C(C=C1[C@H](CC(=O)N)NC(=O)C2=C(NN=C2)C3=C(C=C(C=C3)Cl)F)Cl)F
InChI
InChI=1S/C19H14Cl2F2N4O2/c20-10-2-3-11(15(23)6-10)18-12(8-25-27-18)19(29)26-16(7-17(24)28)9-1-4-14(22)13(21)5-9/h1-6,8,16H,7H2,(H2,24,28)(H,25,27)(H,26,29)/t16-/m0/s1
InChIKey
IPDMIUDPUBUHSU-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(3-Amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl)-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CAS: 3000549-26-5
CID: 166625099
Formula: C19H14Cl2F2N4O2
MW: 439.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.2
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass438.0461874
Monoisotopic Mass438.0461874
Topological Polar Surface Area101 Ų
Heavy Atom Count29
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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