| CAS Number | 927878-49-7 |
| Catalog Number | AG01ENMR(AGN-PC-0W1D9O) |
| Chemical Name | N-(4-(4-(Morpholine-4-carbonyl)piperidin-1-yl)phenyl)-2-phenoxypyrimidine-5-carboxamide |
| IUPAC Name | N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide |
| InChI | InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33) |
| InChI Key | NLSSUSRERAMBTA-UHFFFAOYSA-N |
| MDL Number | MFCD30182259 |
| Molecular Formula | C27H29N5O4 |
| Molecular Weight | 487.5503 |
| SMILES | N1(CCOCC1)C(=O)C1CCN(CC1)C1=CC=C(C=C1)NC(=O)C=1C=NC(=NC1)OC1=CC=CC=C1 |
| Synonyms | N-(4-(4-(morpholine-4-carbonyl)piperidine-1-yl)phenyl)-2-phenoxypyrimidine-5-carboxamide,
TFC 007,
TFC-007,
TFC007,
927878-49-7,
N-[4-[4-(4-Morpholinylcarbonyl)-1-piperidinyl]phenyl]-2-phenoxy-5-pyrimidinecarboxamide,
TFC 007,
ZINC34884123,
AKOS025142049,
NCGC00387231-01,
NLSSUSRERAMBTA-UHFFFAOYSA-N,
|
| Complexity | 703 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 487.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 487.56g/mol |
| Monoisotopic Mass | 487.222g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number