SMILES:
Cc1ccc2c3c(sc2c1)C(O)=C(C(=O)Nc1cnccn1)N(C)S3(=O)=OMolecular Processing
Molecular formula
C17H14N4O4S2
Molecular weight
402.46
Exact mass
402.0456
XLogP
2.5
TPSA
112.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
101.72
Supplementary Information
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