CC1CCC(N(C(=O)Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)s2)C2CCNCC2)CC1
SMILES: CC1CCC(N(C(=O)Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)s2)C2CCNCC2)CC1

Molecular Processing

Molecular formula
C23H41N7O3S2
Molecular weight
527.76
Exact mass
527.2712
XLogP
2.23
TPSA
101.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.826
Molar refractivity
139.74

Supplementary Information

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