Name: 3-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]propanoic acid
SMILES:
O=C(O)CCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21Molecular Processing
Molecular formula
C22H16ClF3N4O3
Molecular weight
476.84
Exact mass
476.0863
XLogP
6.11
TPSA
89.27
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
116.03
Supplementary Information
Details werden geladen…
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