CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc(C6CCCN6C(=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(C6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1

Molecular Processing

Molecular formula
C41H44F2N6O4
Molecular weight
722.84
Exact mass
722.3392
XLogP
9.88
TPSA
116.44
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
53
Rings
8
Aromatic rings
5
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.415
Molar refractivity
197.37

Supplementary Information

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