Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C#N)cn2)c1
SMILES: Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(C#N)cn2)c1

Molecular Processing

Molecular formula
C26H27N5O
Molecular weight
425.54
Exact mass
425.2216
XLogP
4.68
TPSA
81.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
125.07

Supplementary Information

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