名称: 4-[(2-Amino-benzenesulfonylamino)-methyl]-benzoic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1Molecular Processing
Molecular formula
C18H22N2O4S
Molecular weight
362.45
Exact mass
362.13
XLogP
2.7
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
96.49
Supplementary Information
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