Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(CCC#N)Cc2ccco2)c1
SMILES: Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(CCC#N)Cc2ccco2)c1

Molecular Processing

Molecular formula
C25H29N5O8S2
Molecular weight
591.67
Exact mass
591.1458
XLogP
2.64
TPSA
198.04
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
143.08

Supplementary Information

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