CCc1cc2c(=O)n(-c3ccc(OC)nn3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1
SMILES: CCc1cc2c(=O)n(-c3ccc(OC)nn3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1

Molecular Processing

Molecular formula
C28H22N6O5S
Molecular weight
554.59
Exact mass
554.1372
XLogP
3.63
TPSA
137.9
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
150.3

Supplementary Information

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