CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2N2CC(O)CC2C(=O)N(C)OC)cn1
SMILES: CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2N2CC(O)CC2C(=O)N(C)OC)cn1

Molecular Processing

Molecular formula
C26H28N6O6S
Molecular weight
552.61
Exact mass
552.1791
XLogP
2.57
TPSA
150.84
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
142.9

Supplementary Information

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