CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12)c1nsc(N)n1
Name: benzhydryl 7β-[(Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetamido]-3-iodomethyl-3-cephem-4-carboxylate
SMILES: CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12)c1nsc(N)n1

Molecular Processing

Molecular formula
C33H35IN6O7S2
Molecular weight
818.72
Exact mass
818.1053
XLogP
4.38
TPSA
175.4
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
11
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
193.62

Supplementary Information

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Involved in 6 reactions→

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