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Gamma-Secretase Modulators 25mg

CAT: 0628-A11426-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11426-25Size:25 mg
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CAS Number
937812-80-1

Chemical Information

Gamma-secretase modulators
CAS Number937812-80-1
PubChem CID24781184
IUPAC Name(4R,7E,9aS)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-1,3,4,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-6-one
Molecular FormulaC26H24F3N3O3
Molecular Weight483.5
XLogP3.9
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity789
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CC[C@H]4COC[C@H](N4C3=O)C5=CC(=C(C(=C5)F)F)F)OC
InChI
InChI=1S/C26H24F3N3O3/c1-15-11-31(14-30-15)22-6-3-16(8-24(22)34-2)7-17-4-5-19-12-35-13-23(32(19)26(17)33)18-9-20(27)25(29)21(28)10-18/h3,6-11,14,19,23H,4-5,12-13H2,1-2H3/b17-7+/t19-,23-/m0/s1
InChIKey
VHNYOQKVZQVBLC-RTCGXNAVSA-N
Chemical Structure
2D Structure
2D structure of Gamma-secretase modulators
CAS: 937812-80-1
CID: 24781184
Formula: C26H24F3N3O3
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass483.17697612
Monoisotopic Mass483.17697612
Topological Polar Surface Area56.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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