الاسم: {(4-cyano-2-methylsulfanyl-phenyl)-[6-oxo-2-(3-trifluoromethyl-phenylamino)cyclohex-1-enyl]-methyl}-carbamic acid tert-butyl ester
SMILES:
CSc1cc(C#N)ccc1C(NC(=O)OC(C)(C)C)C1=C(Nc2cccc(C(F)(F)F)c2)CCCC1=OMolecular Processing
Molecular formula
C27H28F3N3O3S
Molecular weight
531.6
Exact mass
531.1803
XLogP
6.98
TPSA
91.22
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
136
Supplementary Information
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