N=C(c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1)N1CCC(=O)CC1
SMILES: N=C(c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1)N1CCC(=O)CC1

Molecular Processing

Molecular formula
C26H28N6O6S2
Molecular weight
584.68
Exact mass
584.1512
XLogP
2.45
TPSA
191.62
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
150.01

Supplementary Information

Details werden geladen…

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