SMILES:
O=C(O)C1CC2(CN1C(=O)OCc1ccccc1)SCCS2Molecular Processing
Molecular formula
C15H17NO4S2
Molecular weight
339.44
Exact mass
339.0599
XLogP
2.66
TPSA
66.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
87.02
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→