CS(=O)C1=NN2C(=CC=C2C3=CC=CC(=C3)CCC#N)C=N1
الاسم: 3-[3-(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]propanenitrile
SMILES: CS(=O)C1=NN2C(=CC=C2C3=CC=CC(=C3)CCC#N)C=N1

Molecular Processing

Molecular formula
C16H14N4OS
Molecular weight
310.38
Exact mass
310.0888
XLogP
2.59
TPSA
71.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
84.69

Supplementary Information

InChIKey: HWWAPHGAIYWDMH-UHFFFAOYSA-N
مرادفات
SCHEMBL520885HWWAPHGAIYWDMH-UHFFFAOYSA-N3-[3-(2-Methanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-propionitrile
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