名称: t-butyl 3-bromomethyl-7-formamido-3-cephem-4-carboxylate-1-oxide
SMILES:
CC(C)(C)OC(=O)C1=C(CBr)CS(=O)[C@@H]2C(NC=O)C(=O)N12Molecular Processing
Molecular formula
C13H17BrN2O5S
Molecular weight
393.26
Exact mass
392.0042
XLogP
0.02
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
83.3
Supplementary Information
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