CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1
Name: diphenylmethyl 7-(2-thienylacetamido)-3-(1-acetoxyethyl)-3-cephem-4-carboxylate
SMILES: CC(=O)OC(C)C1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)[C@H]2SC1

Molecular Processing

Molecular formula
C30H28N2O6S2
Molecular weight
576.7
Exact mass
576.1389
XLogP
4.23
TPSA
102.01
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
152.12

Supplementary Information

Details werden geladen…

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