Nom: 5-(2-furan-2-yl-[1,3]dithiolan-2-yl)-N-methyl-N-propyl-isophthalamic acid methyl ester
SMILES:
CCCN(C)C(=O)c1cc(C(=O)OC)cc(C2(c3ccco3)SCCS2)c1Molecular Processing
Molecular formula
C20H23NO4S2
Molecular weight
405.54
Exact mass
405.1069
XLogP
4.23
TPSA
59.75
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
109.44
Supplementary Information
Récupération des détails…
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