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gamma-Secretase Modulators

CAS No.:
937812-80-1
Catalog Number:
AG00GU3H
Molecular Formula:
C26H24F3N3O3
Molecular Weight:
483.4823
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Product Description
Catalog Number:
AG00GU3H
Chemical Name:
gamma-Secretase Modulators
CAS Number:
937812-80-1
Molecular Formula:
C26H24F3N3O3
Molecular Weight:
483.4823
MDL Number:
MFCD13184813
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
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
InChI Key:
VHNYOQKVZQVBLC-RTCGXNAVSA-N
SMILES:
COc1cc(ccc1n1cnc(c1)C)/C=C/1\CC[C@@H]2N(C1=O)[C@@H](COC2)c1cc(F)c(c(c1)F)F
Properties
Complexity:
789  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
1  
Exact Mass:
483.177g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.491g/mol
Monoisotopic Mass:
483.177g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties