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CFM-184

CAT: 0013-GTR19197920-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197920-01Size:50 mg
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Description
CFM-184
CAS Number
1819357-88-4
Smiles
[H][C@@]12CC[C@@] ([H]) ([C@@H]1NC (=O) c1ccc (cc1Cl) -n1cnc (C) n1) N (C2) c1ncc (Cl) c2c (N) noc12
Molecular Formula
C22H20Cl2N8O2
Molecular Weight
499.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1s,4s,7r)-2-(3-Amino-4-Chloro[1,2]oxazolo[5,4-C]pyridin-7-Yl)-2-Azabicyclo[2.2.1]heptan-7-Yl]-2-Chloro-4-(3-Methyl-1h-1,2,4-Triazol-1-Yl)benzamide
CAS Number1819357-88-4
PubChem CID126507438
IUPAC NameN-[(1S,4S,7R)-2-(3-amino-4-chloro-[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
Molecular FormulaC22H20Cl2N8O2
Molecular Weight499.3
XLogP3.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity781
SMILES
CC1=NN(C=N1)C2=CC(=C(C=C2)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)C5=NC=C(C6=C5ON=C6N)Cl)Cl
InChI
InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1
InChIKey
KWAYYBDVPSPGPN-SDDDUWNISA-N
Chemical Structure
2D Structure
2D structure of N-[(1s,4s,7r)-2-(3-Amino-4-Chloro[1,2]oxazolo[5,4-C]pyridin-7-Yl)-2-Azabicyclo[2.2.1]heptan-7-Yl]-2-Chloro-4-(3-Methyl-1h-1,2,4-Triazol-1-Yl)benzamide
CAS: 1819357-88-4
CID: 126507438
Formula: C22H20Cl2N8O2
MW: 499.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass498.1086273
Monoisotopic Mass498.1086273
Topological Polar Surface Area128 Ų
Heavy Atom Count34
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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