C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@H]3CCN(c4nc(C#N)cs4)C3)[C@H](C)[C@H]12
SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(S[C@H]3CCN(c4nc(C#N)cs4)C3)[C@H](C)[C@H]12

Molecular Processing

Molecular formula
C25H25N5O6S2
Molecular weight
555.64
Exact mass
555.1246
XLogP
3.05
TPSA
149.9
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
139.93

Supplementary Information

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