CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)c4ccccc4)CC2)n3-c2ccnc(Cl)c2)CC1
SMILES: CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)c4ccccc4)CC2)n3-c2ccnc(Cl)c2)CC1

Molecular Processing

Molecular formula
C32H35ClN6O4S
Molecular weight
635.19
Exact mass
634.2129
XLogP
3.99
TPSA
99.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
169.8

Supplementary Information

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