SMILES:
Cc1nc(N2CCN(Cc3ccccc3)S2(=O)=O)sc1C(=O)NCc1cccnc1Molecular Processing
Molecular formula
C20H21N5O3S2
Molecular weight
443.55
Exact mass
443.1086
XLogP
2.34
TPSA
95.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
115.38
Supplementary Information
Récupération des détails…
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