| CAS Number | 2055172-43-3 |
| Catalog Number | AG01EQC2(AGN-PC-3H4787) |
| Chemical Name | (2-ethyl-1-piperidinyl)[4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]-methanone |
| IUPAC Name | (2-ethylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone |
| InChI | InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3 |
| InChI Key | DGRUIUDIVFCWMX-UHFFFAOYSA-N |
| MDL Number | MFCD32631871 |
| Molecular Formula | C23H26N4O2 |
| Molecular Weight | 390.4781 |
| SMILES | O=C(N1N=CC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)=N1)N4C(CC)CCCC4 |
| Synonyms | CHEMBL1891894,
SMR002042147,
MLS003336862,
MLS003448140,
BDBM50211276,
(2-ethyl-1-piperidinyl)[4-(hydroxydiphenylmethyl)-2H-1,2,3-triazol-2-yl]-methanone,
2055172-43-3,
|
| Complexity | 527 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.487g/mol |
| Monoisotopic Mass | 390.206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number