CSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1
SMILES: CSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C28H31N3O8S
Molecular weight
569.64
Exact mass
569.1832
XLogP
4.32
TPSA
146.1
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
150.91

Supplementary Information

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