CS(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)OC(C)(C)C)cc1Cl
Name: product
SMILES: CS(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)OC(C)(C)C)cc1Cl

Molecular Processing

Molecular formula
C19H20Cl2O4S
Molecular weight
415.34
Exact mass
414.0459
XLogP
5.12
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
105.57

Supplementary Information

Details werden geladen…

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