Name: tert-butyl 5-[3-(2-aminopyrid-4-yl)-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC2CN(c3ccc4nc(-c5ccc(Cl)cc5)c(-c5ccnc(N)c5)n4n3)CC2C1Molecular Processing
Molecular formula
C28H30ClN7O2
Molecular weight
532.05
Exact mass
531.215
XLogP
5
TPSA
101.88
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
148.08
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→