CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCC1
SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@H]4CN5C(=O)OC(C)(C)C)cn3)nc2n1C1CCCC1

Molecular Processing

Molecular formula
C30H38N8O4
Molecular weight
574.69
Exact mass
574.3016
XLogP
4.22
TPSA
125.79
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
42
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
156.74

Supplementary Information

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