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

Molecular Processing

Molecular formula
C26H29Cl2NOS
Molecular weight
474.5
Exact mass
473.1347
XLogP
7.34
TPSA
20.31
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
31
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
0.423
Molar refractivity
133.13

Supplementary Information

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