이름: tert-butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=OMolecular Processing
Molecular formula
C23H27F2N3O3
Molecular weight
431.48
Exact mass
431.202
XLogP
4.16
TPSA
71.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
111.14
Supplementary Information
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