الاسم: 7β-phenoxyacetamido-3-methoxy-ceph-2-em-4α-carboxylic acid benzyl ester
SMILES:
COC1=CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C23H22N2O6S
Molecular weight
454.5
Exact mass
454.1199
XLogP
2.07
TPSA
94.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
117.21
Supplementary Information
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