C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(Br)c1
SMILES: C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(Br)c1

Molecular Processing

Molecular formula
C16H23BrN2O4S
Molecular weight
419.34
Exact mass
418.0562
XLogP
3.08
TPSA
66.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
95.3

Supplementary Information

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