| CAS Number | 1637300-25-4 |
| Catalog Number | AG01EO2Y |
| Chemical Name | AF64394 |
| IUPAC Name | N-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| InChI | InChI=1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3 |
| InChI Key | WBYNZQXAAWPAGR-UHFFFAOYSA-N |
| MDL Number | MFCD28411712 |
| Molecular Formula | C21H20ClN5O |
| Molecular Weight | 393.8694 |
| SMILES | ClC1=CC(=C(CNC2=CC(=NC=3N2N=CN3)C3=CC=CC=C3)C=C1)OC(C)C |
| Synonyms | AF64394,
1637300-25-4,
HY-12664,
AK00799739,
CS-0012165,
N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine,
|
| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.875g/mol |
| Monoisotopic Mass | 393.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number