Name: 2-(2-(4-acetyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
SMILES:
CC(=O)c1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)FMolecular Processing
Molecular formula
C17H17F3N4O3S
Molecular weight
414.41
Exact mass
414.0973
XLogP
2.78
TPSA
107.08
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.34
Supplementary Information
Details werden geladen…
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