SMILES:
CCC1(CC(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)COC1Molecular Processing
Molecular formula
C29H26ClN5O6
Molecular weight
576.01
Exact mass
575.1572
XLogP
4.39
TPSA
152.24
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
150.8
Supplementary Information
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