이름: benzhydryl 7-[2-methoxyimino-2-(2-formamidothiazol-4-yl)acetamido]-3-(2,2-dichlorovinyl)-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=C(Cl)Cl)CS[C@H]12)c1csc(NC=O)n1Molecular Processing
Molecular formula
C29H23Cl2N5O6S2
Molecular weight
672.57
Exact mass
671.0467
XLogP
4.37
TPSA
139.29
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
168
Supplementary Information
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