Nom: 4-(4-(4-(but-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid
SMILES:
C=CCCOc1ccc(CNc2nc(Nc3ccc(C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C23H22F3N5O4
Molecular weight
489.45
Exact mass
489.1624
XLogP
4.82
TPSA
118.49
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
122.14
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→