CC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccc([N+](=O)[O-])c4)CC3)c(F)c2)C(=O)O1
SMILES: CC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccc([N+](=O)[O-])c4)CC3)c(F)c2)C(=O)O1

Molecular Processing

Molecular formula
C24H25FN6O5
Molecular weight
496.5
Exact mass
496.187
XLogP
3.17
TPSA
140.84
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
129.21

Supplementary Information

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