이름: 1-ethoxycarbonyloxyethyl 7-[(Z)-2-methoxyimino-2-(thiazol-4-yl)acetamido]-3-(3-methyl-1,2,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylate-1-oxide
SMILES:
CCOC(=O)OC(C)OC(=O)C1=C(CSc2nc(C)ns2)CS(=O)[C@@H]2C(NC(=O)/C(=N\OC)c3cscn3)C(=O)N12Molecular Processing
Molecular formula
C22H24N6O9S4
Molecular weight
644.74
Exact mass
644.0488
XLogP
1.18
TPSA
188.57
H-bond donors
1
H-bond acceptors
16
Rotatable bonds
11
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
147.29
Supplementary Information
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