CC(C)N1CCN(CCC(=O)Nc2cccc(-c3nc(Nc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)c4ccccc4n3)c2)CC1
SMILES: CC(C)N1CCN(CCC(=O)Nc2cccc(-c3nc(Nc4ccc5c(cnn5C(=O)OC(C)(C)C)c4)c4ccccc4n3)c2)CC1

Molecular Processing

Molecular formula
C36H42N8O3
Molecular weight
634.79
Exact mass
634.338
XLogP
6.53
TPSA
117.51
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.361
Molar refractivity
186.02

Supplementary Information

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