| CAS Number | 1808094-07-6 |
| Catalog Number | AG01EOHD(AGN-PC-3H46DK) |
| Chemical Name | PF-06471553 |
| IUPAC Name | N-(2-cyclobutyltriazol-4-yl)-2-[2-(3-methoxyphenyl)acetyl]-1,3-dihydroisoindole-5-sulfonamide |
| InChI | InChI=1S/C23H25N5O4S/c1-32-20-7-2-4-16(10-20)11-23(29)27-14-17-8-9-21(12-18(17)15-27)33(30,31)26-22-13-24-28(25-22)19-5-3-6-19/h2,4,7-10,12-13,19H,3,5-6,11,14-15H2,1H3,(H,25,26) |
| InChI Key | GRXCLNMCJWKTAT-UHFFFAOYSA-N |
| MDL Number | MFCD31657365 |
| Molecular Formula | C23H25N5O4S |
| Molecular Weight | 467.5407 |
| SMILES | C1C2=C(C=C(S(NC3C=NN(C4CCC4)N=3)(=O)=O)C=C2)CN1C(CC1=CC=CC(OC)=C1)=O |
| Synonyms | N-(2-cyclobutyl-2H-1,2,3-triazol-4-yl)-2-(2-(3-methoxyphenyl)acetyl)isoindoline-5-sulfonamide,
PF-06471553,
PF-06471553,
1808094-07-6,
CHEMBL3613709,
SB19236,
HY-108339,
CS-0028403,
N-(2-Cyclobutyl-2H-1,2,3-triazole-4-yl)-2-(3-methoxyphenylacetyl)isoindoline-5-sulfonamide,
|
| Complexity | 801 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 467.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 467.544g/mol |
| Monoisotopic Mass | 467.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number