SMILES:
O=C(Nc1ncc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1)N(C1CCCCC1)C1CCCCC1Molecular Processing
Molecular formula
C28H41N5O3S2
Molecular weight
559.8
Exact mass
559.2651
XLogP
5.29
TPSA
85.85
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
152.63
Supplementary Information
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