Name: Compound 21
SMILES:
Cn1ccc2c1C(=O)CN(CCCN1CCN(c3ccc(F)cc3)CC1)S2(=O)=OMolecular Processing
Molecular formula
C20H25FN4O3S
Molecular weight
420.51
Exact mass
420.1631
XLogP
1.56
TPSA
65.86
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
108.17
Supplementary Information
Details werden geladen…
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