Name: 7-cyanomethylthioacetamido-3-cephem-3-ol-4-carboxylic acid benzhydryl ester
SMILES:
N#CCCC(=S)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(O)CS[C@H]12Molecular Processing
Molecular formula
C24H21N3O4S2
Molecular weight
479.58
Exact mass
479.0973
XLogP
3.59
TPSA
102.66
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
127.93
Supplementary Information
Details werden geladen…
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