SMILES:
CCNS(=O)(=O)CC(=O)C1=CNC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C18H21N3O7S
Molecular weight
423.45
Exact mass
423.11
XLogP
1.12
TPSA
144.71
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
104.24
Supplementary Information
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