SMILES:
O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)C(COC(=O)CCCO)=CS[C@H]12Molecular Processing
Molecular formula
C31H30N2O7S2
Molecular weight
606.72
Exact mass
606.1494
XLogP
3.59
TPSA
122.24
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
158.15
Supplementary Information
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