CC1CCC(N(C(=O)Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)s2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
SMILES: CC1CCC(N(C(=O)Nc2ncc(CN3CCN(S(=O)(=O)N(C)C)CC3)s2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1

Molecular Processing

Molecular formula
C30H44FN7O4S2
Molecular weight
649.86
Exact mass
649.288
XLogP
3.92
TPSA
109.4
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.633
Molar refractivity
169.17

Supplementary Information

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