SMILES:
CCN1CCCC1CNC(=O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1Molecular Processing
Molecular formula
C32H35Cl2N3O3S
Molecular weight
612.62
Exact mass
611.1776
XLogP
6.11
TPSA
69.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.344
Molar refractivity
166.07
Supplementary Information
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