Name: N-tert-butyl-5-{3-[6-(3,4-dichloro-phenyl)-4-methyl-pyrimidin-2-yl]-phenyl}-thiophene-2-sulfonic acid amide
SMILES:
Cc1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)s3)c2)n1Molecular Processing
Molecular formula
C25H23Cl2N3O2S2
Molecular weight
532.52
Exact mass
531.0609
XLogP
7.23
TPSA
71.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
141.05
Supplementary Information
Details werden geladen…
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