CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)C(C#N)=C2COCCN12
SMILES: CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(F)nc4)c3c2)C(C#N)=C2COCCN12

Molecular Processing

Molecular formula
C23H17FN6O
Molecular weight
412.43
Exact mass
412.1448
XLogP
3.77
TPSA
101.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
110.5

Supplementary Information

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