Name: ethyl 9-(acetoxymethyl)-3-(benzyloxy)-9-(chloromethyl)-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxylate
SMILES:
CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(CCl)COC(C)=OMolecular Processing
Molecular formula
C21H23ClN2O7
Molecular weight
450.88
Exact mass
450.1194
XLogP
2.03
TPSA
105.95
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
110.21
Supplementary Information
Details werden geladen…
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