CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4ncc(Cl)nc4Cl)CC3)C2=O)cn1
SMILES: CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4ncc(Cl)nc4Cl)CC3)C2=O)cn1

Molecular Processing

Molecular formula
C19H22Cl2N6O3S
Molecular weight
485.4
Exact mass
484.0851
XLogP
2.26
TPSA
108.39
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
118.37

Supplementary Information

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