이름: 3-Bromo-4-fluorophenyl 6-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone
SMILES:
COc1ccc2c(C(=O)c3ccc(F)c(Br)c3)c(-c3ccc(OCCN4CCCC4)cc3)sc2c1Molecular Processing
Molecular formula
C28H25BrFNO3S
Molecular weight
554.48
Exact mass
553.0723
XLogP
7.18
TPSA
38.77
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
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
0.25
Molar refractivity
142.51
Supplementary Information
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