Name: Ethyl 1-benzyl-5-(1,3-dithiol-2-ylidene)-3-methyl-4,6-dioxopiperidine-3-carboxylate
SMILES:
CCOC(=O)C1(C)CN(Cc2ccccc2)C(=O)C(=C2SC=CS2)C1=OMolecular Processing
Molecular formula
C19H19NO4S2
Molecular weight
389.5
Exact mass
389.0756
XLogP
3.33
TPSA
63.68
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
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
0.316
Molar refractivity
102.95
Supplementary Information
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