Name: methyl (2,5-dioxo-5,6-dihydro-4H-imidazo[1,5,4-de]quinoxalin-1(2H)-yl)acetate
SMILES:
COC(=O)Cn1c(=O)n2c3c(cccc31)NC(=O)C2Molecular Processing
Molecular formula
C12H11N3O4
Molecular weight
261.24
Exact mass
261.075
XLogP
-0.07
TPSA
82.33
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.84
Supplementary Information
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