Nombre: 4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-2,6-difluorophenyl]tetrahydro-2H-thiopyran-4-ol
SMILES:
Cc1ccc(C)n1-c1cc(F)c(C2(O)CCSCC2)c(F)c1Molecular Processing
Molecular formula
C17H19F2NOS
Molecular weight
323.41
Exact mass
323.1155
XLogP
4.09
TPSA
25.16
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
85.61
Supplementary Information
Obteniendo detalles…
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