SMILES:
CC(Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4nccs4)c3)c12)C(=O)N1CCOCC1Molecular Processing
Molecular formula
C26H25N7O3S
Molecular weight
515.6
Exact mass
515.174
XLogP
3.85
TPSA
107.29
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
141.26
Supplementary Information
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