CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1
SMILES: CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6C7CCC(C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1

Molecular Processing

Molecular formula
C43H46F2N6O4
Molecular weight
748.87
Exact mass
748.3549
XLogP
10.27
TPSA
116.44
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
55
Rings
9
Aromatic rings
5
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.442
Molar refractivity
204.4

Supplementary Information

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