COC(=O)C(=C(C)C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1SC(=O)OCc1ccccc1
SMILES: COC(=O)C(=C(C)C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1SC(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C32H26N2O9S
Molecular weight
614.63
Exact mass
614.1359
XLogP
4.08
TPSA
136.59
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
156.54

Supplementary Information

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