Название: 3-n-butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
SMILES:
CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1FMolecular Processing
Molecular formula
C34H37ClFN5O3S
Molecular weight
650.22
Exact mass
649.229
XLogP
7.56
TPSA
116.88
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
45
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
0.324
Molar refractivity
175.54
Supplementary Information
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