Name: 4-[1-(3-bromo-5-methyl-thiophen-2-yl)-1-hydroxyimino-methyl]-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
Cc1cc(Br)c(C(=NO)C2CCN(C(=O)OC(C)(C)C)CC2)s1Molecular Processing
Molecular formula
C16H23BrN2O3S
Molecular weight
403.34
Exact mass
402.0613
XLogP
4.64
TPSA
62.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
95.61
Supplementary Information
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