SMILES:
CCCCS(=O)(=O)N1CC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1Molecular Processing
Molecular formula
C19H22ClFN6O2S
Molecular weight
452.94
Exact mass
452.1198
XLogP
3.43
TPSA
103.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
114.38
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→