Название: 2-phenyl-N-(2-phenylethyl)-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILES:
C1=CC=C(C=C1)CCNC(=O)C2=CN=C(NC2=S)C3=CC=CC=C3Molecular Processing
Molecular formula
C19H17N3OS
Molecular weight
335.43
Exact mass
335.1092
XLogP
3.78
TPSA
57.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
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
0.105
Molar refractivity
97.34
Supplementary Information
InChIKey: KPSIWGQOVQZUCF-UHFFFAOYSA-N
Синонимы
SCHEMBL8085695KPSIWGQOVQZUCF-UHFFFAOYSA-N4-mercapto-2-phenyl-pyrimidine-5-carboxylic acid phenethyl-amide
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