SMILES:
C/C=C\C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2SC1Molecular Processing
Molecular formula
C31H28N2O5S
Molecular weight
540.64
Exact mass
540.1719
XLogP
4.63
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
149.62
Supplementary Information
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