Name: 3-[4-(1-ethoxycarbonyl-ethyl)-7-fluoro-3-thioxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yloxy]-3-methyl-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
CCOC(=O)C(C)N1C(=S)COc2cc(F)c(OC3(C)CN(C(=O)OC(C)(C)C)C3)cc21Molecular Processing
Molecular formula
C22H29FN2O6S
Molecular weight
468.55
Exact mass
468.173
XLogP
3.69
TPSA
77.54
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
119.91
Supplementary Information
Details werden geladen…
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