SMILES:
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCC(C)(O)C3CC3)CC2)c2ccnn12Molecular Processing
Molecular formula
C36H41N5O5
Molecular weight
623.75
Exact mass
623.3108
XLogP
5.71
TPSA
127.65
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
46
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
174.84
Supplementary Information
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