| CAS Number | 1463510-35-1 |
| Catalog Number | AG01EPMZ(AGN-PC-3H470K) |
| Chemical Name | N-[4-[4-(4-morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl]-N'-4-pyridinyl-urea,monohydrochloride |
| IUPAC Name | 1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea;hydrochloride |
| InChI | InChI=1S/C25H28N8O3.ClH/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20;/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34);1H |
| InChI Key | JNMURGIZAFELTR-UHFFFAOYSA-N |
| Molecular Formula | C25H29ClN8O3 |
| Molecular Weight | 525.0026 |
| SMILES | O=C(NC1=CC=C(C2=NC(N3CCOCC3)=NC(N4C5COCC4CC5)=N2)C=C1)NC6=CC=NC=C6.Cl |
| Synonyms | 1463510-35-1,
N-[4-[4-(4-morpholinyl)-6-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl]-N'-4-pyridinyl-urea,monohydrochloride,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 524.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 525.01g/mol |
| Monoisotopic Mass | 524.205g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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