Nombre: 1-[bis(4-chlorophenyl)methyl]-3-{(methylsulfonyl)[3-(pentafluorophenoxycarbonyl)phenyl]methylene}azetidine
SMILES:
CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1Molecular Processing
Molecular formula
C31H20Cl2F5NO4S
Molecular weight
668.47
Exact mass
667.041
XLogP
7.77
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.129
Molar refractivity
155.72
Supplementary Information
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