CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CC4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCCCC1
SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CC4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCCCC1

Molecular Processing

Molecular formula
C32H42N8O4
Molecular weight
602.74
Exact mass
602.3329
XLogP
5
TPSA
125.79
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
165.97

Supplementary Information

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