Nombre: 3-(trifluoromethyl)-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide
SMILES:
COc1cc(Nc2ncc(C(C)NC(=O)c3cccc(C(F)(F)F)c3)nn2)cc(OC)c1OCMolecular Processing
Molecular formula
C22H22F3N5O4
Molecular weight
477.44
Exact mass
477.1624
XLogP
4.15
TPSA
107.49
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
116.53
Supplementary Information
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