Name: ethyl 4-oxo-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepine-3-carboxylate
SMILES:
CCOC(=O)c1cnc2n(c1=O)CCCCC2Molecular Processing
Molecular formula
C12H16N2O3
Molecular weight
236.27
Exact mass
236.1161
XLogP
1.15
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
62.01
Supplementary Information
Details werden geladen…
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