이름: t-butyl 2-bromo-3-bromomethyl-7-phenoxyacetamido-3-cephem-4-carboxylate-1-oxide
SMILES:
CC(C)(C)OC(=O)C1=C(CBr)C(Br)S(=O)[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N12Molecular Processing
Molecular formula
C20H22Br2N2O6S
Molecular weight
578.28
Exact mass
575.9565
XLogP
2.19
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
122.02
Supplementary Information
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