Name: 4-isobutylaminobenzenesulfonic acid 2-aminobenzo-thiazol-6-yl ester
SMILES:
CC(C)CNc1ccc(S(=O)(=O)Oc2ccc3nc(N)sc3c2)cc1Molecular Processing
Molecular formula
C17H19N3O3S2
Molecular weight
377.49
Exact mass
377.0868
XLogP
3.71
TPSA
94.31
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
101.62
Supplementary Information
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