O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccccc3)=NCSC12
SMILES: O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccccc3)=NCSC12

Molecular Processing

Molecular formula
C21H19N3O5S
Molecular weight
425.47
Exact mass
425.1045
XLogP
1.56
TPSA
97.3
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
110.63

Supplementary Information

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