SMILES:
CS(=O)(=O)c1ccc(C(CC2CCOC2)C(=O)Nc2cnccn2)cc1ClMolecular Processing
Molecular formula
C18H20ClN3O4S
Molecular weight
409.89
Exact mass
409.0863
XLogP
2.68
TPSA
98.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
101.51
Supplementary Information
Récupération des détails…
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