名称: ethyl 6-chloro-1-ethyl-2-({2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl}carbamoyl)-1H-indole-5-carboxylate
SMILES:
CCOC(=O)c1cc2cc(C(=O)NC(c3ccc(F)c(C(F)(F)F)c3)C(F)(F)F)n(CC)c2cc1ClMolecular Processing
Molecular formula
C23H18ClF7N2O3
Molecular weight
538.85
Exact mass
538.0894
XLogP
6.68
TPSA
60.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
116.24
Supplementary Information
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