Nom: tert-butyl 4-((4-((4-((2-(chloromethyl)allyl)oxy)benzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate
SMILES:
C=C(CCl)COc1ccc(CNc2nc(Nc3ccc(C(=O)OC(C)(C)C)cc3)nc(OCC(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C27H29ClF3N5O4
Molecular weight
580.01
Exact mass
579.186
XLogP
6.3
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
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
145.39
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→