SMILES:
COc1cc2nc(-c3cccc(-c4ccccc4)c3)nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c2cc1OCCClMolecular Processing
Molecular formula
C35H32ClN5O4
Molecular weight
622.13
Exact mass
621.2143
XLogP
8.47
TPSA
100.39
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
45
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
177.82
Supplementary Information
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