SMILES:
COC(=O)NC(C(=O)N1CC(C#N)CC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)CMolecular Processing
Molecular formula
C48H51F2N9O6
Molecular weight
887.99
Exact mass
887.393
XLogP
7.97
TPSA
198.43
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
65
Rings
9
Aromatic rings
5
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
234.77
Supplementary Information
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