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GW-1100 10mg

CAT: 0628-A11445-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11445-10Size:10 mg
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CAS Number
306974-70-9

Chemical Information

GW1100

structure in first source

CAS Number306974-70-9
PubChem CID11692123
IUPAC Nameethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate
Molecular FormulaC27H25FN4O4S
Molecular Weight520.6
XLogP4.7
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity832
SMILES
CCOC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OCC
InChI
InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3
InChIKey
PTPNCCWOTBBVJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW1100
CAS: 306974-70-9
CID: 11692123
Formula: C27H25FN4O4S
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass520.15805463
Monoisotopic Mass520.15805463
Topological Polar Surface Area119 Ų
Heavy Atom Count37
Formal Charge0
Complexity832
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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