Name: 1-(3-(3-cyano-4-fluorophenyl)-3-methyl-2-oxobutyl)-3-(4-fluoro-3-methoxyphenyl)thiourea
SMILES:
COc1cc(NC(=S)NCC(=O)C(C)(C)c2ccc(F)c(C#N)c2)ccc1FMolecular Processing
Molecular formula
C20H19F2N3O2S
Molecular weight
403.45
Exact mass
403.1166
XLogP
3.68
TPSA
74.15
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
106.32
Supplementary Information
Details werden geladen…
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