CON(C)C(=O)[C@H]1CCCN1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(S(C)(=O)=O)cc1
SMILES: CON(C)C(=O)[C@H]1CCCN1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(S(C)(=O)=O)cc1

Molecular Processing

Molecular formula
C26H27N5O5S
Molecular weight
521.6
Exact mass
521.1733
XLogP
3.81
TPSA
117.72
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
139.1

Supplementary Information

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