Basic information
- Standard SMILES
C=CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCCl)c3csc(N)n3)[C@H]2SC1- InChIKey
HKJLBYQKXQSVSA-PVQCJRHBSA-N- Molecular formula
- C19H20ClN9O5S3
- Average molar mass
- 586.1 g/mol
Names & identifiers
- Preferred name
- 7-[2-(2-aminothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
- IUPAC
- (6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-chloroethoxyimino)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
HKJLBYQKXQSVSA-PVQCJRHBSA-N7-[2-(2-aminothiazol-4-yl)-2-(2-chloroethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131715323
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 270 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 989
Related reactions
1 records
Compound notes
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