Name: benzhydryl 7β-[(phenylacetyl)amino]-3-[(methylsulfonyl)oxy]-3-cephem-4-carboxylate
SMILES:
CS(=O)(=O)OC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1Molecular Processing
Molecular formula
C29H26N2O7S2
Molecular weight
578.67
Exact mass
578.1181
XLogP
3.15
TPSA
119.08
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
148.94
Supplementary Information
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