Name: N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-N-(2-hydroxyethyl)-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine
SMILES:
COC(=O)COc1ccc(CC(C)N(CCO)CC(O)c2csc(C(F)(F)F)n2)cc1Molecular Processing
Molecular formula
C20H25F3N2O5S
Molecular weight
462.49
Exact mass
462.1436
XLogP
2.67
TPSA
92.12
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
107.85
Supplementary Information
Details werden geladen…
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