Cc1cncc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)n1
이름: tert-butyl 3-[3-(6-methylpyrazin-2-yl)phenyl]-3-oxopropanoate
SMILES: Cc1cncc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)n1

Molecular Processing

Molecular formula
C18H20N2O3
Molecular weight
312.37
Exact mass
312.1474
XLogP
3.37
TPSA
69.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
87

Supplementary Information

InChIKey: XRLMKPLJDSCXIZ-UHFFFAOYSA-N
동의어
SCHEMBL5557468XRLMKPLJDSCXIZ-UHFFFAOYSA-N3-[3-(6-methyl-pyrazin-2-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester
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