C[C@H](CN(C)C(=O)C(C)(C)O)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
SMILES: C[C@H](CN(C)C(=O)C(C)(C)O)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

Molecular Processing

Molecular formula
C28H30ClN5O4
Molecular weight
536.03
Exact mass
535.1986
XLogP
5
TPSA
109.7
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
146.87

Supplementary Information

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