| CAS Number | 864756-35-4 |
| Catalog Number | AG01ENOJ(AGN-PC-0V5Q6V) |
| Chemical Name | TC-MCH 7c |
| IUPAC Name | 4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one |
| InChI | InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2 |
| InChI Key | ANCFKYJMXNMYNZ-UHFFFAOYSA-N |
| MDL Number | MFCD26792560 |
| Molecular Formula | C24H25FN2O3 |
| Molecular Weight | 408.4653 |
| SMILES | O=C1C=C(OCC2C=CC(F)=CC=2)C=CN1C1C=CC(OCCN2CCCC2)=CC=1 |
| Synonyms | TC-MCH 7c,
CHEMBL584538,
864756-35-4,
4-[(4-Fluorophenyl)methoxy]-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2(1H)-pyridinone,
SCHEMBL2892783,
BDBM50301081,
ZINC13983163,
AKOS024458118,
NCGC00379114-01,
4-(4-Fluoro-benzyloxy)-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1H-pyridin-2-one,
4-(4-fluorobenzyloxy)-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-one,
ANCFKYJMXNMYNZ-UHFFFAOYSA-N,
CID11654412,
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.473g/mol |
| Monoisotopic Mass | 408.185g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number