CC1(C)c2cc(N3CCN(CCO)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
SMILES: CC1(C)c2cc(N3CCN(CCO)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21

Molecular Processing

Molecular formula
C25H26N4O2
Molecular weight
414.51
Exact mass
414.2056
XLogP
3.02
TPSA
83.36
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
120.76

Supplementary Information

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