SMILES:
CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCO)cc3)n(C3CCC3)c2c1Molecular Processing
Molecular formula
C24H26N4O3
Molecular weight
418.5
Exact mass
418.2005
XLogP
4.42
TPSA
99.31
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
120.25
Supplementary Information
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