Basic information
- Standard SMILES
CC1C=C(C(=O)OCC(Cl)(Cl)Cl)N2C(=O)C(NC(=O)Nc3ccccc3)[C@H]2S1- InChIKey
YSPPFLMDNHURMZ-WIQPZXRYSA-N- Molecular formula
- C17H16Cl3N3O4S
- Average molar mass
- 464.7 g/mol
- Monoisotopic mass
- 462.99271
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl 2-methyl-7-(3-phenylureido)-3-cephem-4-carboxylate
- IUPAC
- 2,2,2-trichloroethyl (6R)-4-methyl-8-oxo-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL11155265YSPPFLMDNHURMZ-WIQPZXRYSA-N2,2,2-trichloroethyl 2-methyl-7-(3-phenylureido)-3-cephem-4-carboxylate
Database identifiers
- PubChem CID
- 12834009
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 679
Related reactions
6 records
Compound notes
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