Name: 4-[(cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methyl)amino]benzoic acid
SMILES:
CCc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1Molecular Processing
Molecular formula
C27H28F3NO2S
Molecular weight
487.59
Exact mass
487.1793
XLogP
8.43
TPSA
49.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
130.48
Supplementary Information
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