Название: Compound ( 50 )
SMILES:
O=C(Cc1ccccc1)N[C@H]1CON(C2(C(=O)OC(c3ccccc3)c3ccccc3)OC(=O)CC2Sc2ccccc2)C1=OMolecular Processing
Molecular formula
C35H30N2O7S
Molecular weight
622.7
Exact mass
622.1774
XLogP
4.62
TPSA
111.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
165.22
Supplementary Information
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