이름: benzhydryl 7-phenoxyacetamido-3-(1-methyl-1H-tetrazol-5-yl)vinyl-3-cephem-4-carboxylate-1-oxide
SMILES:
Cn1nnnc1C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2S(=O)C1Molecular Processing
Molecular formula
C32H28N6O6S
Molecular weight
624.68
Exact mass
624.1791
XLogP
2.3
TPSA
145.61
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
163.19
Supplementary Information
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