Nom: 7β-phenoxyacetamido-3-methoxy-ceph-3-em-4-carboxylic acid benzyl ester
SMILES:
COC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1Molecular 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
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
117.23
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→