Cl.Cl.Cl.Cn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c3nsc(N)n3)[C@H]2SC1
Name: 7β-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetamido]3-(3-amino-2-methyl-1-pyrazolio)methyl-3-cephem-4-carboxylate trihydrochloride
SMILES: Cl.Cl.Cl.Cn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c3nsc(N)n3)[C@H]2SC1

Molecular Processing

Molecular formula
C24H34Cl3N9O7S2
Molecular weight
731.08
Exact mass
729.1088
XLogP
-0.46
TPSA
224.06
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
9
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
4
Fraction Csp3
0.5
Molar refractivity
170.69

Supplementary Information

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Involved in 4 reactions→

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