2-(2-Chlorophenyl)-3-[({3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]propyl carbamate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(/C=C/C(F)(F)F)c1=O)c1ccccc1Cl- InChIKey
JRDLQTVEFKGKOB-MDZDMXLPSA-N- Molecular formula
- C23H20Cl2F3N5O4
- Average molar mass
- 558.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-3-[({3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]propyl carbamate
- IUPAC
- [2-(2-chlorophenyl)-3-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate
Names & synonyms
2-(2-Chlorophenyl)-3-[({3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetyl)amino]propyl carbamateSCHEMBL257292
Database identifiers
- PubChem CID
- 66635656
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 896
Related reactions
1 records
Compound notes
Loading…