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

Molecular Processing

Molecular formula
C31H39Cl2NOS
Molecular weight
544.63
Exact mass
543.2129
XLogP
9.33
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.516
Molar refractivity
156.11

Supplementary Information

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