Name: 5-chloro-N-((1-(4-iodophenyl)-1H-pyrazol-3-yl)methyl)thiophene-2-carboxamide
SMILES:
O=C(NCc1ccn(-c2ccc(I)cc2)n1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C15H11ClIN3OS
Molecular weight
443.7
Exact mass
442.9356
XLogP
4.12
TPSA
46.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
96.78
Supplementary Information
Details werden geladen…
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