Nom: Intermediate 139
SMILES:
CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3ccnc(Cl)n3)c2)C(C#N)C1Molecular Processing
Molecular formula
C21H24ClN5O2
Molecular weight
413.91
Exact mass
413.1619
XLogP
3.74
TPSA
82.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
110.1
Supplementary Information
Récupération des détails…
Impliqué dans 5 réactions→