COCCN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1
SMILES: COCCN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

Molecular Processing

Molecular formula
C28H35N7O6S2
Molecular weight
629.77
Exact mass
629.209
XLogP
2.05
TPSA
187.02
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
164.08

Supplementary Information

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