SMILES:
COc1cccc2c1C(NC1=Nc3ccc(NS(C)(=O)=O)cc3CO1)CC2Molecular Processing
Molecular formula
C19H21N3O4S
Molecular weight
387.46
Exact mass
387.1253
XLogP
2.86
TPSA
89.02
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
103.98
Supplementary Information
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