COc1ccc(CSC2CC(C(=O)N3CC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C)C2)cc1
SMILES: COc1ccc(CSC2CC(C(=O)N3CC(NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C)C2)cc1

Molecular Processing

Molecular formula
C25H30N4O6S
Molecular weight
514.6
Exact mass
514.1886
XLogP
3.05
TPSA
114.25
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
135.9

Supplementary Information

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