Name: (E)-1-[3-[[4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-butenyl]oxy]-4-benzyloxyphenyl]ethanone
SMILES:
CC(=O)c1ccc(OCc2ccccc2)c(OC/C=C/CN2CCC(c3noc4cc(F)ccc34)CC2)c1Molecular Processing
Molecular formula
C31H31FN2O4
Molecular weight
514.6
Exact mass
514.2268
XLogP
6.56
TPSA
64.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
144.24
Supplementary Information
Details werden geladen…
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