CC1=C(SC=C1)C2=CN(C(=O)NC2=O)CCCC=O
名称: 4-[5-(3-methylthiophen-2-yl)-2,4-dioxopyrimidin-1-yl]butanal
SMILES: CC1=C(SC=C1)C2=CN(C(=O)NC2=O)CCCC=O

Molecular Processing

Molecular formula
C13H14N2O3S
Molecular weight
278.33
Exact mass
278.0725
XLogP
1.55
TPSA
71.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
74.67

Supplementary Information

InChIKey: HLYXEYNUTRPEBJ-UHFFFAOYSA-N
同義語
SCHEMBL3565020HLYXEYNUTRPEBJ-UHFFFAOYSA-N4-[5-(3-Methyl-thiophen-2-yl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-butyraldehyde
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