Название: tert-butyl 3-((4-[3-(3-chlorophenyl)-4-(3,4-dimethylphenyl)but-1-yn-1-yl)benzyl)amino)propanoate
SMILES:
Cc1ccc(CC(C#Cc2ccc(CNCCC(=O)OC(C)(C)C)cc2)c2cccc(Cl)c2)cc1CMolecular Processing
Molecular formula
C32H36ClNO2
Molecular weight
502.1
Exact mass
501.2435
XLogP
7.16
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
149.3
Supplementary Information
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