Name: (3S)-ethyl 1-(2-hydroxy-2-(4-((Z)-N′-hydroxycarbamimidoyl)phenyl)propyl)piperidine-3-carboxylate
SMILES:
CCOC(=O)[C@H]1CCCN(CC(C)(O)c2ccc(/C(N)=N/O)cc2)C1Molecular Processing
Molecular formula
C18H27N3O4
Molecular weight
349.43
Exact mass
349.2002
XLogP
1.26
TPSA
108.38
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
94.32
Supplementary Information
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