CC(C)(C)OC(=O)NC1CCC(CNC1=O)C2=C(C(=CC=C2)F)F
CAS: 781650-32-6
Название: tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC1CCC(CNC1=O)C2=C(C(=CC=C2)F)F

Molecular Processing

Molecular formula
C17H22F2N2O3
Molecular weight
340.37
Exact mass
340.1598
XLogP
2.85
TPSA
67.43
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.5

Supplementary Information

InChIKey: WCOPAMRQAVLNBD-ZWNOBZJWSA-N
Синонимы
tert-Butyl [(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate781650-32-6TERT-BUTYL N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXOAZEPAN-3-YL]CARBAMATESCHEMBL12811974WCOPAMRQAVLNBD-ZWNOBZJWSA-Ntert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamatetert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-ylcarbamate
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