O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)c2ccccc2-c2ccccc21
SMILES: O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)c2ccccc2-c2ccccc21

Molecular Processing

Molecular formula
C39H37F3N4O
Molecular weight
634.75
Exact mass
634.2919
XLogP
7.84
TPSA
48.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
47
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.282
Molar refractivity
181.41

Supplementary Information

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