| CAS Number | 1807988-47-1 |
| Catalog Number | AG01EOAL(AGN-PC-3H46BD) |
| Chemical Name | IITZ-01 |
| IUPAC Name | 4-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine |
| InChI | InChI=1S/C26H23FN8O/c27-18-7-11-20(12-8-18)29-25-32-24(33-26(34-25)35-13-15-36-16-14-35)28-19-9-5-17(6-10-19)23-30-21-3-1-2-4-22(21)31-23/h1-12H,13-16H2,(H,30,31)(H2,28,29,32,33,34) |
| InChI Key | XGEDDGLPNSLBFE-UHFFFAOYSA-N |
| MDL Number | MFCD31746904 |
| Molecular Formula | C26H23FN8O |
| Molecular Weight | 482.5122 |
| SMILES | N1C(=NC2=C1C=CC=C2)C2=CC=C(C=C2)NC2=NC(=NC(=N2)NC2=CC=C(C=C2)F)N2CCOCC2 |
| Synonyms | IITZ-01,
1807988-47-1,
EX-A2763,
HY-112897,
AK00792538,
CS-0067546,
N2-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-N4-(4-fluorophenyl)-6-morpholino-1,3,5-triazine-2,4-diamine,
|
| Complexity | 683 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 482.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.523g/mol |
| Monoisotopic Mass | 482.198g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number