Basic information
- Standard SMILES
O=C(NCc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
DKEKPTAXTJOYLG-MHZLTWQESA-N- Molecular formula
- C29H26ClN5O3
- Average molar mass
- 528 g/mol
- Monoisotopic mass
- 527.1724174
Names & identifiers
- Preferred name
- N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-prolinamide
- IUPAC
- 9H-fluoren-9-ylmethyl (2S)-2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6079445DKEKPTAXTJOYLG-MHZLTWQESA-NN-[5-chloro-2-(1H-1,2,4-triazol-1-yl)benzyl]-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-prolinamide
Database identifiers
- PubChem CID
- 69656572
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 825
Related reactions
2 records
Compound notes
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