CCOC(=O)C1=CN(C(=N1)C(=O)OCC)C2CC3=CC=CC=C3C2=O
الاسم: diethyl 1-(3-oxo-1,2-dihydroinden-2-yl)imidazole-2,4-dicarboxylate
SMILES: CCOC(=O)C1=CN(C(=N1)C(=O)OCC)C2CC3=CC=CC=C3C2=O

Molecular Processing

Molecular formula
C18H18N2O5
Molecular weight
342.35
Exact mass
342.1216
XLogP
2.22
TPSA
87.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
87.65

Supplementary Information

InChIKey: URHNNDVUTLUBSV-UHFFFAOYSA-N
مرادفات
SCHEMBL8649980URHNNDVUTLUBSV-UHFFFAOYSA-Ndiethyl 1-(1-oxoindan-2-yl)imidazole-2,4-dicarboxylate
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