| CAS Number | 858350-62-6 |
| Catalog Number | AG00GAOC |
| Chemical Name | AR 244555 |
| IUPAC Name | (1'-but-3-enyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone |
| InChI | InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2 |
| InChI Key | QKPSTNGNDWHYCH-UHFFFAOYSA-N |
| MDL Number | MFCD09704455 |
| Molecular Formula | C23H23ClF2N2O |
| Molecular Weight | 416.8913 |
| SMILES | C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F |
| Synonyms | AR 244555,
AR244555,
AR-244555,
858350-62-6,
GTPL7042,
SCHEMBL5578980,
ZINC169620334,
NCGC00386715-01,
(1'-(but-3-enyl)-5-chlorospiro[indoline-3,4'-piperidine]-1-yl)(2,6-difluorophenyl)methanone,
(1'-but-3-enyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone,
D0Z2FF,
QKPSTNGNDWHYCH-UHFFFAOYSA-N,
|
| Complexity | 600 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.897g/mol |
| Monoisotopic Mass | 416.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number