الاسم: 4-[(1E,3E)-4-[trans-5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]thio]-1,3-dioxan-2-yl]-1,3-butadienyl]-3-fluorobenzonitrile
SMILES:
C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C27H25F3N4O3S
Molecular weight
542.58
Exact mass
542.1599
XLogP
4.59
TPSA
93.19
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
136.1
Supplementary Information
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