CCC1(CC=O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C2CC2)C2CC2)C1=O
SMILES: CCC1(CC=O)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C2CC2)C2CC2)C1=O

Molecular Processing

Molecular formula
C29H34Cl2N2O4S
Molecular weight
577.57
Exact mass
576.1616
XLogP
5.9
TPSA
83.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
149.71

Supplementary Information

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