이름: tert-butyl[(1R)-3-oxo-3-(2-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylhydrazino)-1-(2,4,5-trifluorobenzyl)propyl]carbamate
SMILES:
CC(C)(C)OC(=O)N[C@@H](CC(=O)NNc1nccc2ncnn12)Cc1cc(F)c(F)cc1FMolecular Processing
Molecular formula
C20H22F3N7O3
Molecular weight
465.44
Exact mass
465.1736
XLogP
2.51
TPSA
122.54
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
110.34
Supplementary Information
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