Nom: compound 469
SMILES:
O=S(=O)(CC1CCCC1)N1CC(Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1Molecular Processing
Molecular formula
C20H22ClFN6O2S
Molecular weight
464.95
Exact mass
464.1198
XLogP
3.43
TPSA
103.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
116.82
Supplementary Information
Récupération des détails…
Impliqué dans 5 réactions→