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Basic information
- Standard SMILES
C=CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(F)(F)F)c3csc(NC=O)n3)[C@H]2SC1- InChIKey
JZDPIVGJPZETGW-PVQCJRHBSA-N- Molecular formula
- C20H18F3N9O6S3
- Average molar mass
- 633.6 g/mol
- Monoisotopic mass
- 633.04942733
Names & identifiers
- Preferred name
- 7-[2-(2-formamidothiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
JZDPIVGJPZETGW-PVQCJRHBSA-N7-[2-(2-formamidothiazol-4-yl)-2-(2,2,2-trifluoroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715312
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
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