Cc1cc(N2CC(S(=O)(=O)c3ccc(N4CCN(C)CC4)cc3Cl)CC2C(=O)NC2(C#N)CC2)n(C2CCC2)n1
SMILES: Cc1cc(N2CC(S(=O)(=O)c3ccc(N4CCN(C)CC4)cc3Cl)CC2C(=O)NC2(C#N)CC2)n(C2CCC2)n1

Molecular Processing

Molecular formula
C28H36ClN7O3S
Molecular weight
586.16
Exact mass
585.2289
XLogP
2.92
TPSA
114.57
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
153.46

Supplementary Information

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