Name: 1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]-thieno[2,3-d]pyrimidine-5-carboxylic acid
SMILES:
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3ccccc3C(F)(F)F)sc21Molecular Processing
Molecular formula
C20H19F3N2O4S
Molecular weight
440.44
Exact mass
440.1018
XLogP
3.73
TPSA
81.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
107.37
Supplementary Information
Details werden geladen…
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