Nombre: N-benzyl-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILES:
C1=CC=C(C=C1)CNC(=O)C2=CN=C(NC2=S)C3=CC=CC=C3Molecular Processing
Molecular formula
C18H15N3OS
Molecular weight
321.41
Exact mass
321.0936
XLogP
3.74
TPSA
57.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
92.47
Supplementary Information
InChIKey: FRPLGAAEAZFYMN-UHFFFAOYSA-N
Sinónimos
SCHEMBL8084871FRPLGAAEAZFYMN-UHFFFAOYSA-N4-Mercapto-2-phenyl-pyrimidine-5-carboxylic acid benzylamide
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