Basic information
- Standard SMILES
CCOC(=O)CNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.O=C(O)C(F)(F)F- InChIKey
XZDXPXULZPQOCI-UHFFFAOYSA-N- Molecular formula
- C21H23ClF3N3O7S
- Average molar mass
- 553.9 g/mol
- Monoisotopic mass
- 553.0897334
Names & identifiers
- Preferred name
- N-[[1-[(6-chloronaphthalen-2-yl)sulfonyl]piperazin-3-yl]carbonyl]glycine ethyl ester trifluoroacetate
- IUPAC
- ethyl 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]amino]acetate;2,2,2-trifluoroacetic acid
Names & synonyms
N-[[1-[(6-chloronaphthalen-2-yl)sulfonyl]piperazin-3-yl]carbonyl]glycine ethyl ester trifluoroacetateSCHEMBL6728888
Database identifiers
- PubChem CID
- 69880209
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
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