CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1C#N
SMILES: CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(B(O)O)cc2)cc1C#N

Molecular Processing

Molecular formula
C19H21BN2O5S
Molecular weight
400.27
Exact mass
400.1264
XLogP
0.99
TPSA
127.49
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
106.72

Supplementary Information

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