N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4ccncc4)CC3)cc2C2=CCCCC2)n1
SMILES: N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)Cc4ccncc4)CC3)cc2C2=CCCCC2)n1

Molecular Processing

Molecular formula
C29H30N6O2
Molecular weight
494.6
Exact mass
494.243
XLogP
4.83
TPSA
114.77
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
140.64

Supplementary Information

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