Name: 2,3,6,7-Tetrahydro-7-hydroxy-6-(4-methoxyphenyl)-5H-1,4-dithiino[2,3-C]pyrrol-5-one
SMILES:
COc1ccc(N2C(=O)C3=C(SCCS3)C2O)cc1Molecular Processing
Molecular formula
C13H13NO3S2
Molecular weight
295.38
Exact mass
295.0337
XLogP
2.05
TPSA
49.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78.43
Supplementary Information
Details werden geladen…
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