CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(C#Cc2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1
SMILES: CC(C)(C)OC(=O)Nc1cc(OC(C)(C)C)c(C#Cc2ccc(F)cc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1

Molecular Processing

Molecular formula
C34H34FN5O5
Molecular weight
611.67
Exact mass
611.2544
XLogP
6.54
TPSA
124.44
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
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
0.265
Molar refractivity
168

Supplementary Information

Details werden geladen…

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