이름: diethyl (1R,2S,3R,5R,6R)-2-azido-3-[(3,4-dichlorophenyl)methylsulfanyl]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES:
CCOC(=O)C1(C2C1C(C(C2)SCC3=CC(=C(C=C3)Cl)Cl)(C(=O)OCC)N=[N+]=[N-])FMolecular Processing
Molecular formula
C19H20Cl2FN3O4S
Molecular weight
476.36
Exact mass
475.0536
XLogP
5.13
TPSA
101.36
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
112.12
Supplementary Information
InChIKey: GDWOKOJMXZVHQK-UGXJIPPFSA-N
동의어
GDWOKOJMXZVHQK-UGXJIPPFSA-N(1R,2S,3R,5R,6R)-2-azido-3-(3,4-dichlorobenzylsulfanyl)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester
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