이름: diethyl (1R,2S,3R,5R,6R)-2-azido-3-[(3,4-dichlorophenyl)methylsulfinyl]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylate

SMILES: CCOC(=O)C1(C2C1C(C(C2)S(=O)CC3=CC(=C(C=C3)Cl)Cl)(C(=O)OCC)N=[N+]=[N-])F

Molecular Processing

Molecular formula

C19H20Cl2FN3O5S

Molecular weight

492.36

Exact mass

491.0485

XLogP

4.14

TPSA

118.43

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.579

Molar refractivity

112.68

Supplementary Information

InChIKey: LFDHBOMPUREYCF-GZKCRATRSA-N

동의어

LFDHBOMPUREYCF-GZKCRATRSA-N(1R,2S,3R,5R,6R)-2-azido-3-(3,4-dichlorobenzylsulfinyl)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester