Nom: (RS)-1-{(4-carboxyphenyl)-(4-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)(methylsulfonyl)methylene]azetidine
SMILES:
CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(C(=O)O)cc2)C1)c1cc(F)cc(F)c1Molecular Processing
Molecular formula
C25H20ClF2NO4S
Molecular weight
503.95
Exact mass
503.077
XLogP
5.18
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
126.39
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→