Basic information
- Standard SMILES
O=CNc1nc(C(=NOCCCl)C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nncs4)CS[C@H]23)cs1- InChIKey
JAUDIVAWWGYASL-JOPIAHFSSA-N- Molecular formula
- C18H16ClN7O6S4
- Average molar mass
- 590.1 g/mol
Names & identifiers
- Preferred name
- 7-[2-(2-Formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-chloroethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
JAUDIVAWWGYASL-JOPIAHFSSA-N7-[2-(2-formamidothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715328
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 959
Related reactions
2 records
Compound notes
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