2-[({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]-2-[3-(trifluoromethyl)phenyl]ethyl carbamate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
NC(=O)OCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(/C=C/C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1- InChIKey
STDKVRRCNVYDFL-CMDGGOBGSA-N- Molecular formula
- C23H18ClF6N5O4
- Average molar mass
- 577.9 g/mol
- Monoisotopic mass
- 577.0951507
Names & identifiers
- Preferred name
- 2-[({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]-2-[3-(trifluoromethyl)phenyl]ethyl carbamate
- IUPAC
- [2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]ethyl] carbamate
Names & synonyms
2-[({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]-2-[3-(trifluoromethyl)phenyl]ethyl carbamateSCHEMBL3447774
Database identifiers
- PubChem CID
- 59536732
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 968
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…