이름: tert-butyl [(5S)-3-(4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamate
SMILES:
CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(I)cc2)C(=O)O1Molecular Processing
Molecular formula
C15H19IN2O4
Molecular weight
418.23
Exact mass
418.039
XLogP
3.14
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
91.01
Supplementary Information
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