名称: ethyl 3-(5-(2-(((2,4′-dichloro-2′-methyl-[1,1′-biphenyl]-4-yl)amino)methyl)-5-(trifluoromethyl)phenyl)picolinamido)propanoate
SMILES:
CCOC(=O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3C)c(Cl)c2)cn1Molecular Processing
Molecular formula
C32H28Cl2F3N3O3
Molecular weight
630.49
Exact mass
629.146
XLogP
8.34
TPSA
80.32
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
43
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
0.219
Molar refractivity
162.22
Supplementary Information
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