O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5ccccn5)cc4F)CC3)C2)c2ccccc21
SMILES: O=C1O[C@]2(CCN(C(=O)C3(c4ccc(-c5ccccn5)cc4F)CC3)C2)c2ccccc21

Molecular Processing

Molecular formula
C26H21FN2O3
Molecular weight
428.46
Exact mass
428.1536
XLogP
4.22
TPSA
59.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
115.28

Supplementary Information

Details werden geladen…

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