Nombre: 1-(2-methylsulfonylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
SMILES:
CS(=O)(=O)C1=NC=CC(=N1)NC(=NCC(F)(F)F)NMolecular Processing
Molecular formula
C8H10F3N5O2S
Molecular weight
297.26
Exact mass
297.0507
XLogP
0.17
TPSA
110.33
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
61.31
Supplementary Information
InChIKey: VAAANURXBCRIGP-UHFFFAOYSA-N
Sinónimos
4-[2-(2,2,2-Trifluoroethyl)guanidino]-2-methylsulphonylpyrimidineSCHEMBL10562309SCHEMBL10562312
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