이름: tert-butyl (2S)-2-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)C3=CC=C(C=C3)IMolecular Processing
Molecular formula
C17H20IN3O3
Molecular weight
441.27
Exact mass
441.0549
XLogP
4.41
TPSA
68.46
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
97.37
Supplementary Information
InChIKey: KHZOVIIVBLXEBX-ZDUSSCGKSA-N
동의어
SCHEMBL889018KHZOVIIVBLXEBX-ZDUSSCGKSA-N(S)-tert-butyl 2-(5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
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