Name: tert-butyl (3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-ylcarbamate
SMILES:
COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)OC(C)(C)C)C1=OMolecular Processing
Molecular formula
C20H28F2N2O4
Molecular weight
398.45
Exact mass
398.2017
XLogP
3.21
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
99.95
Supplementary Information
Details werden geladen…
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