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

Molecular Processing

Molecular formula
C27H28ClN5O4
Molecular weight
522.01
Exact mass
521.183
XLogP
4.61
TPSA
109.7
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
142.25

Supplementary Information

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