CC(=O)OC=C1CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1
SMILES: CC(=O)OC=C1CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C25H23N3O8S
Molecular weight
525.54
Exact mass
525.1206
XLogP
2.1
TPSA
145.15
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
131.7

Supplementary Information

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