이름: t-butyl 7-benzamido-3-bromomethyl-3-cephem-4-carboxylate-1-oxide
SMILES:
CC(C)(C)OC(=O)C1=C(CBr)CS(=O)[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12Molecular Processing
Molecular formula
C19H21BrN2O5S
Molecular weight
469.36
Exact mass
468.0355
XLogP
1.71
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
108
Supplementary Information
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