SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+]([O-])=Cc2cccs2)c1Molecular Processing
Molecular formula
C24H26N2O5S
Molecular weight
454.55
Exact mass
454.1562
XLogP
4.37
TPSA
90.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
123.74
Supplementary Information
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