C#CCN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl
SMILES: C#CCN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCCC(=O)N3C)ncc1Cl

Molecular Processing

Molecular formula
C26H25ClN6O2
Molecular weight
488.98
Exact mass
488.1728
XLogP
4.62
TPSA
90.46
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
138.63

Supplementary Information

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