名称: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2,3-dihydroxypropyl)(methyl)amino]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile
SMILES:
CN(CC(O)CO)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1ClMolecular Processing
Molecular formula
C16H12Cl2F6N4O4S
Molecular weight
541.26
Exact mass
539.9861
XLogP
3.15
TPSA
119.45
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
102.9
Supplementary Information
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