CC(C)(C)OC(=O)Nc1ccc2c(c1)Sc1cccc(B3OC(C)(C)C(C)(C)O3)c1S2
SMILES: CC(C)(C)OC(=O)Nc1ccc2c(c1)Sc1cccc(B3OC(C)(C)C(C)(C)O3)c1S2

Molecular Processing

Molecular formula
C23H28BNO4S2
Molecular weight
457.43
Exact mass
457.1553
XLogP
5.95
TPSA
56.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
126.7

Supplementary Information

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