Name: 1-ethoxy-2-(6-methyl-2,5-dioxo-5,6-dihydro-4H-imidazo[1,5,4-de]quinoxalin-1(2H)-yl)ethaniminium chloride
SMILES:
CCOC(=[NH2+])Cn1c(=O)n2c3c(cccc31)N(C)C(=O)C2.[Cl-]Molecular Processing
Molecular formula
C14H17ClN4O3
Molecular weight
324.77
Exact mass
324.0989
XLogP
-4.02
TPSA
82.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.357
Molar refractivity
78.17
Supplementary Information
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