| CAS Number | 1632236-44-2 |
| Catalog Number | AG01ENJO(AGN-PC-3H45NE) |
| Chemical Name | N-Cyclohexyl-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-2-carboxamide |
| IUPAC Name | N-cyclohexyl-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-2-carboxamide |
| InChI | InChI=1S/C24H25F3N4O2/c25-24(26,27)33-21-13-11-19(12-14-21)22-17-28-31(29-22)23(32)30(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2 |
| InChI Key | FYOYNRLSBYWAHL-UHFFFAOYSA-N |
| MDL Number | MFCD30742935 |
| Molecular Formula | C24H25F3N4O2 |
| Molecular Weight | 458.4761 |
| SMILES | O=C(N(C1CCCCC1)CCC2=CC=CC=C2)N3N=C(C4=CC=C(OC(F)(F)F)C=C4)C=N3 |
| Synonyms | 1632236-44-2,
N-Cyclohexyl-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-2-carboxamide,
KLH 45,
KLH-45,
EX-A1224,
AKOS032947168,
KLH45, >=98% (HPLC),
FYOYNRLSBYWAHL-UHFFFAOYSA-N,
|
| Complexity | 615 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.485g/mol |
| Monoisotopic Mass | 458.193g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number