名称: Benzhydryl 7-phenylacetamido-3-formyl-2-cephem-4-carboxylate
SMILES:
O=CC1=CS[C@@H]2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C29H24N2O5S
Molecular weight
512.59
Exact mass
512.1406
XLogP
3.41
TPSA
92.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
139.06
Supplementary Information
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