Название: 3-chloro-6-(4-methoxyphenyl)methylamino-α-cyclopropylethynyl-α-(trifluoromethyl)benzyl alcohol
SMILES:
COc1ccc(CNc2ccc(Cl)cc2C(O)(C#CC2CC2)C(F)(F)F)cc1Molecular Processing
Molecular formula
C21H19ClF3NO2
Molecular weight
409.84
Exact mass
409.1056
XLogP
5.12
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
102.22
Supplementary Information
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