SMILES:
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(B4OC(C)(C)C(C)(C)O4)cc23)CC1Molecular Processing
Molecular formula
C22H32BN3O5S
Molecular weight
461.39
Exact mass
461.2156
XLogP
2.1
TPSA
114.72
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
125.54
Supplementary Information
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