CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC(COC)COC)c3[nH]2)S1
SMILES: CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC(COC)COC)c3[nH]2)S1

Molecular Processing

Molecular formula
C25H30N4O7S2
Molecular weight
562.67
Exact mass
562.1556
XLogP
2.8
TPSA
141.2
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
145.35

Supplementary Information

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