SMILES:
Cc1nc2c(OCC3CCCCC3)cc(C#N)cn2c1C(=O)N[C@@H](CO)c1ccccc1Molecular Processing
Molecular formula
C25H28N4O3
Molecular weight
432.52
Exact mass
432.2161
XLogP
3.94
TPSA
99.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
120.45
Supplementary Information
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