Nom: tert-butyl 4-((4-((4-(3-bromopropoxy)-3-chlorobenzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate
SMILES:
CC(C)(C)OC(=O)c1ccc(Nc2nc(NCc3ccc(OCCCBr)c(Cl)c3)nc(OCC(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C26H28BrClF3N5O4
Molecular weight
646.89
Exact mass
645.0965
XLogP
6.94
TPSA
107.49
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
148.95
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→