Name: 5-(3,3-dimethyl-but-1-ynyl)-3-[N′-(2,2,2-trifluoro-acetyl)-hydrazino]-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(C#CC(C)(C)C)cc1NNC(=O)C(F)(F)FMolecular Processing
Molecular formula
C14H15F3N2O3S
Molecular weight
348.35
Exact mass
348.0755
XLogP
2.94
TPSA
67.43
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
79.81
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→