COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCC1CCN(CCOC(C)(C)C)CC1
SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCC1CCN(CCOC(C)(C)C)CC1

Molecular Processing

Molecular formula
C33H42FN7O4
Molecular weight
619.74
Exact mass
619.3282
XLogP
5.72
TPSA
126.52
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
45
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
0.455
Molar refractivity
171.68

Supplementary Information

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