Name: 2-(2,4-bis-trifluoromethyl-benzylamino)-4-oxo-4,5-dihydro-imidazole-1-carboxylic acid benzyl ester
SMILES:
O=C1CN(C(=O)OCc2ccccc2)C(NCc2ccc(C(F)(F)F)cc2C(F)(F)F)=N1Molecular Processing
Molecular formula
C20H15F6N3O3
Molecular weight
459.35
Exact mass
459.1018
XLogP
4.35
TPSA
71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
99.06
Supplementary Information
Details werden geladen…
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