(4-Pyridylthiomethyl]-7-[(2,5-dichlorophenyl)-thioacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HCID 86749942

Basic information

Standard SMILES
O=C(OCSc1ccncc1)C1=CCSC2C(NC(=S)Cc3cc(Cl)ccc3Cl)C(=O)N12
InChIKey
GTKXCOWLIACQGP-UHFFFAOYSA-N
Molecular formula
C21H17Cl2N3O3S3
Average molar mass
526.5 g/mol

Names & identifiers

Preferred name
(4-Pyridylthiomethyl]-7-[(2,5-dichlorophenyl)-thioacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC
pyridin-4-ylsulfanylmethyl 7-[[2-(2,5-dichlorophenyl)ethanethioyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Names & synonyms

GTKXCOWLIACQGP-UHFFFAOYSA-N(4-pyridylthiomethyl]-7-[(2,5-dichlorophenyl)-thioacetamido]-8-oxo-5-thia-1-azabicyclo [4.2.0]oct-2-ene-2-carboxylate(4-pyridylthiomethyl]-7-[(2,5-dichlorophenyl)-thioacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(4-pyridylthiomethyl]-7-[(2,5-dichlorophenyl)thioacetamido]-8-oxo-5-thia-1-azabicyclo [4.2.0]oct-2-ene-2-carboxylate(4-pyridylthiomethyl]-7-[(2,5-dichlorophenyl)thioacetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Database identifiers

PubChem CID
86749942

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
154 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
32

Related reactions

6 records

Linked notes

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