Name: Ethyl 1-benzyl-5-(1,3-dithiol-2-ylidene)-4,6-dioxopiperidine-3-carboxylate
SMILES:
CCOC(=O)C1CN(Cc2ccccc2)C(=O)C(=C2SC=CS2)C1=OMolecular Processing
Molecular formula
C18H17NO4S2
Molecular weight
375.47
Exact mass
375.0599
XLogP
2.94
TPSA
63.68
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
98.34
Supplementary Information
Details werden geladen…
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