O=C(NCCN1CCOCC1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
SMILES: O=C(NCCN1CCOCC1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

Molecular Processing

Molecular formula
C31H33Cl2N3O4S
Molecular weight
614.6
Exact mass
613.1569
XLogP
4.96
TPSA
78.95
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
163.06

Supplementary Information

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