Name: (R)-methyl 2-(N-(3-bromopropyl)-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)N(CCCBr)S(=O)(=O)c1cc(F)c(CSc2ncc(C(C)(C)c3ccc(Cl)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1Molecular Processing
Molecular formula
C33H34BrClF3N3O5S2
Molecular weight
789.14
Exact mass
787.0764
XLogP
7.91
TPSA
90.73
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
48
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
183.35
Supplementary Information
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