SMILES:
CCOP(=O)(OCC)Oc1ccc(C(=O)c2ccc(CSc3nc4cccc(C)c4c(=O)n3C)cc2)cc1Molecular Processing
Molecular formula
C28H29N2O6PS
Molecular weight
552.59
Exact mass
552.1484
XLogP
6.33
TPSA
96.72
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
149.08
Supplementary Information
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