Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1
SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1Nc1cc(-c2cccnc2)ccn1

Molecular Processing

Molecular formula
C35H37F3N6O3
Molecular weight
646.71
Exact mass
646.2879
XLogP
7.52
TPSA
99.69
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
47
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.314
Molar refractivity
174.41

Supplementary Information

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