NCc1ccccc1C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1
SMILES: NCc1ccccc1C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

Molecular Processing

Molecular formula
C23H23FN4O3
Molecular weight
422.46
Exact mass
422.1754
XLogP
3.02
TPSA
101.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
115.1

Supplementary Information

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