1H-Imidazole-5-carboxylic acid, 1-[(1S)-1-phenylethyl]-, [4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl ester
Basic information
- CAS
1421283-58-0- Standard SMILES
C[C@@H](c1ccccc1)n1cncc1C(=O)OCc1ccc(C2(C(F)(F)F)N=N2)cc1- InChIKey
KXNORJIHJWQODL-AWEZNQCLSA-N- Molecular formula
- C21H17F3N4O2
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.13036028
Names & identifiers
- Preferred name
- 1H-Imidazole-5-carboxylic acid, 1-[(1S)-1-phenylethyl]-, [4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl ester
- IUPAC
- [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl 3-[(1S)-1-phenylethyl]imidazole-4-carboxylate
Names & synonyms
1421283-58-01H-Imidazole-5-carboxylic acid, 1-[(1S)-1-phenylethyl]-, [4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl ester74TZG7Z7TPDTXSID701106062[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl 1-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxylate1-[(1S)-1-Phenylethyl]-1H-imidazole-5-carboxylic acid-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]pheny1-[(1S)-1-Phenylethyl]-1H-imidazole-5-carboxylic acid-[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl ester
Database identifiers
- CAS
1421283-58-0- PubChem CID
- 165367170
- DTXSID
DTXSID701106062- UNII
- 74TZG7Z7TP
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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