C[C@@H](C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1)C(=O)OC(C)(C)C
SMILES: C[C@@H](C(=O)Nc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C34H36N6O5
Molecular weight
608.7
Exact mass
608.2747
XLogP
7.09
TPSA
137.33
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
45
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
173.26

Supplementary Information

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