名称: {4′-fluoro-3-[3-oxo-3-(3-[1,2,4]triazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester
SMILES:
CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2cncn2)c1Molecular Processing
Molecular formula
C28H26FN5O4
Molecular weight
515.55
Exact mass
515.1969
XLogP
5.63
TPSA
115.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
140.63
Supplementary Information
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