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
- Formal charge
- 0
- Complexity
- 766
Related reactions
6 records
Linked notes
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