CC(=NNC(=S)Nc1ccc(C(=O)O)c([N+](=O)[O-])c1)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O
SMILES: CC(=NNC(=S)Nc1ccc(C(=O)O)c([N+](=O)[O-])c1)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

Molecular Processing

Molecular formula
C24H26N6O5S
Molecular weight
510.58
Exact mass
510.1685
XLogP
4.41
TPSA
154.91
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
140.63

Supplementary Information

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