Name: ethyl 4-((2′-chloro-4′,4′-difluoro-4′,5′-dihydrospiro[piperidine-4,7′-thieno[2,3-c]pyran]-1-yl)methyl)-1-(3-chloro-2-pyridyl)-1H-pyrazole-3-carboxylate
SMILES:
CCOC(=O)c1nn(-c2ncccc2Cl)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12Molecular Processing
Molecular formula
C23H22Cl2F2N4O3S
Molecular weight
543.42
Exact mass
542.0758
XLogP
5.43
TPSA
69.48
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
127.69
Supplementary Information
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