الاسم: (Z)-tert-butyl 3-((3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylamido)methyl)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCC(CNC(=O)/C=C\n2cnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1Molecular Processing
Molecular formula
C24H27F6N5O3
Molecular weight
547.5
Exact mass
547.2018
XLogP
5.22
TPSA
89.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
124.33
Supplementary Information
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