COC(F)(c1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4ccc(C)nc4)CC3)C1)nn2C)C(F)(F)F
SMILES: COC(F)(c1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4ccc(C)nc4)CC3)C1)nn2C)C(F)(F)F

Molecular Processing

Molecular formula
C28H34F4N6O3
Molecular weight
578.61
Exact mass
578.2629
XLogP
3.65
TPSA
104.54
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
143.68

Supplementary Information

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