SMILES:
CCCc1cc(C(=O)NC(Cc2ccccc2)C(O)C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)nc1Molecular Processing
Molecular formula
C31H33N5O7S
Molecular weight
619.7
Exact mass
619.2101
XLogP
2.56
TPSA
180.58
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
44
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
161.04
Supplementary Information
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