Название: benzyl (3R)-6-(2,3-difluorophenyl)-1-(2,4-dimethoxybenzyl)-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-ylcarbamate
SMILES:
COc1ccc(CN2CC(c3cccc(F)c3F)=CC[C@@H](NC(=O)OCc3ccccc3)C2=O)c(OC)c1Molecular Processing
Molecular formula
C29H28F2N2O5
Molecular weight
522.55
Exact mass
522.1966
XLogP
5.09
TPSA
77.1
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
137.47
Supplementary Information
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