SMILES:
CC(=O)OCc1c(-c2cc(Nc3ccnc(C)n3)c(=O)n(C)n2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=OMolecular Processing
Molecular formula
C30H32N8O4
Molecular weight
568.64
Exact mass
568.2547
XLogP
3.33
TPSA
137.13
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
155.53
Supplementary Information
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