SMILES:
N#Cc1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1Molecular Processing
Molecular formula
C23H20N4O3S
Molecular weight
432.51
Exact mass
432.1256
XLogP
4.42
TPSA
95.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
117.25
Supplementary Information
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