Name: diphenylmethyl 7-(2-thienylacetamido)-3-(α-acetyloxybenzyl)-2-cephem-4-carboxylate
SMILES:
CC(=O)OC(C1=CS[C@@H]2C(NC(=O)Cc3cccs3)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C35H30N2O6S2
Molecular weight
638.77
Exact mass
638.1545
XLogP
5.58
TPSA
102.01
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
171.82
Supplementary Information
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