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GNE-7915 25mg

CAT: 0628-A13748-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A13748-25Size:25 mg
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CAS Number
1351761-44-8

Chemical Information

Gne-7915
CAS Number1351761-44-8
PubChem CID58539171
IUPAC Name[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
Molecular FormulaC19H21F4N5O3
Molecular Weight443.4
XLogP2.8
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OC
InChI
InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
InChIKey
XCFLWTZSJYBCPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gne-7915
CAS: 1351761-44-8
CID: 58539171
Formula: C19H21F4N5O3
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass443.15805220
Monoisotopic Mass443.15805220
Topological Polar Surface Area88.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
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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