Name: 5-[(1H-Indazol-4-ylmethyl)-carbamoyl]-3-trifluoromethyl-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(C(=O)NCc2cccc3[nH]ncc23)cc1C(F)(F)FMolecular Processing
Molecular formula
C16H12F3N3O3S
Molecular weight
383.35
Exact mass
383.0551
XLogP
3.36
TPSA
84.08
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
87.92
Supplementary Information
Details werden geladen…
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