Basic information
- Standard SMILES
O=C(O)C(c1ccccc1Cl)n1cc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1- InChIKey
PRMHCBOFWXHCMR-ZENAZSQFSA-N- Molecular formula
- C22H17Cl2F3N6O4
- Average molar mass
- 557.3 g/mol
Names & identifiers
- Preferred name
- (2-Chlorophenyl) [4-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,3-triazol-1-yl]acetic acid
- IUPAC
- 2-(2-chlorophenyl)-2-[4-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]triazol-1-yl]acetic acid
Names & synonyms
(2-Chlorophenyl) [4-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,3-triazol-1-yl]acetic acidSCHEMBL6929254(2-Chlorophenyl)[4-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,3-triazol-1-yl]acetic acid
Database identifiers
- PubChem CID
- 69940366
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 876
Related reactions
2 records
Compound notes
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