CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)N(C)Cc2ccccc2)ccc1OC(C)C.O=C(O)C(F)(F)F
Nombre: mixture
SMILES: CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)N(C)Cc2ccccc2)ccc1OC(C)C.O=C(O)C(F)(F)F

Molecular Processing

Molecular formula
C32H35F3N4O5
Molecular weight
612.65
Exact mass
612.256
XLogP
6.45
TPSA
127.01
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.281
Molar refractivity
162.5

Supplementary Information

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