Name: (R)-methyl 2-(4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propanoate
SMILES:
COC(=O)[C@@H](C)NS(=O)(=O)c1cc(F)c(CSc2ncc(C(C)(C)c3ccc(Cl)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1Molecular Processing
Molecular formula
C30H29ClF3N3O5S2
Molecular weight
668.16
Exact mass
667.1189
XLogP
6.41
TPSA
99.52
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
161.37
Supplementary Information
Details werden geladen…
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