SMILES:
CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2N2CC(O)CC2C(C)=O)cn1Molecular Processing
Molecular formula
C25H25N5O5S
Molecular weight
507.57
Exact mass
507.1576
XLogP
3.13
TPSA
138.37
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
133.8
Supplementary Information
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