C[C@@H]1CN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)C[C@H](C)N1
SMILES: C[C@@H]1CN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)C[C@H](C)N1

Molecular Processing

Molecular formula
C25H26N4O
Molecular weight
398.51
Exact mass
398.2107
XLogP
4.1
TPSA
71.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
119.29

Supplementary Information

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