| CAS Number | 1358575-02-6 |
| Catalog Number | AG01E6M7 |
| Chemical Name | FTBMT - Bio-X |
| IUPAC Name | 4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,4-triazol-1-yl]-2-methylbenzamide |
| InChI | InChI=1S/C19H16F4N4O/c1-10-5-15(3-4-16(10)18(24)28)27-11(2)25-17(26-27)8-12-6-13(19(21,22)23)9-14(20)7-12/h3-7,9H,8H2,1-2H3,(H2,24,28) |
| InChI Key | TYXSIXOYTBHZFA-UHFFFAOYSA-N |
| MDL Number | MFCD31693831 |
| Molecular Formula | C19H16F4N4O |
| Molecular Weight | 392.3502 |
| SMILES | FC=1C=C(CC2=NN(C(=N2)C)C2=CC(=C(C(=O)N)C=C2)C)C=C(C1)C(F)(F)F |
| Synonyms | FTBMT,
1358575-02-6,
CHEMBL4082756,
BCP29255,
EX-A2009,
HY-101787,
CS-0021897,
J3.639.833G,
2-Methyl-4-[3-[3-fluoro-5-(trifluoromethyl)benzyl]-5-methyl-1H-1,2,4-triazole-1-yl]benzamide,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.358g/mol |
| Monoisotopic Mass | 392.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number