benzhydryl 7-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate

HCID 67948113
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Basic information

Standard SMILES
NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(S/C=C\c3cccnc3)CS[C@H]12
InChIKey
WYKIMQAPKCQGLS-VLWLFKOESA-N
Molecular formula
C27H23N3O3S2
Average molar mass
501.6 g/mol
Monoisotopic mass
501.11808395

Names & identifiers

Preferred name
benzhydryl 7-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate
IUPAC
benzhydryl (6R)-7-amino-8-oxo-3-[(Z)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

SCHEMBL9877523WYKIMQAPKCQGLS-VLWLFKOESA-Nbenzhydryl 7-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate

Database identifiers

PubChem CID
67948113

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
136 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

Related reactions

7 records
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Compound notes

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