SMILES:
COC(=O)NC(CCC(F)(F)F)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc2)[nH]1Molecular Processing
Molecular formula
C33H36F3N7O3
Molecular weight
635.69
Exact mass
635.2832
XLogP
6.29
TPSA
128.03
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
165.32
Supplementary Information
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