Name: ethyl(4-{(S)-[(tert-butylsulfinyl)amino][5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}-1H-1,2,3-triazol-1-yl)acetate
SMILES:
CCOC(=O)Cn1cc([C@H](NS(=O)C(C)(C)C)c2ccc(OCC(F)(F)F)cn2)nn1Molecular Processing
Molecular formula
C18H24F3N5O4S
Molecular weight
463.48
Exact mass
463.1501
XLogP
2.32
TPSA
108.23
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
105.32
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→