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FR167344 free base 5mg

CAT: 0628-A12964-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12964-5Size:5 mg
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CAS Number
215258-13-2

Chemical Information

FR167344

structure given in first source

CAS Number215258-13-2
PubChem CID9810391
IUPAC Name4-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
Molecular FormulaC30H28BrCl2N5O4
Molecular Weight673.4
XLogP6.2
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity981
SMILES
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)N(C)C)Cl)Br
InChI
InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+
InChIKey
NDOBHDUXUJNXHX-NTEUORMPSA-N
Chemical Structure
2D Structure
2D structure of FR167344
CAS: 215258-13-2
CID: 9810391
Formula: C30H28BrCl2N5O4
MW: 673.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.4
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass671.07017
Monoisotopic Mass671.07017
Topological Polar Surface Area96.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity981
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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