| CAS Number | 1196723-95-1 |
| Catalog Number | AG0097FH |
| Chemical Name | N-[1,3-Bis(4-chlorophenyl)-1H-pyrazol-5-yl]-4-butylbenzamide |
| IUPAC Name | N-[2,5-bis(4-chlorophenyl)pyrazol-3-yl]-4-butylbenzamide |
| InChI | InChI=1S/C26H23Cl2N3O/c1-2-3-4-18-5-7-20(8-6-18)26(32)29-25-17-24(19-9-11-21(27)12-10-19)30-31(25)23-15-13-22(28)14-16-23/h5-17H,2-4H2,1H3,(H,29,32) |
| InChI Key | YBESODXFBCCIIN-UHFFFAOYSA-N |
| MDL Number | MFCD28396404 |
| Molecular Formula | C26H23Cl2N3O |
| Molecular Weight | 464.3863 |
| SMILES | CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
| Synonyms | HSF1B,
SCHEMBL1820484,
ZINC117211970,
NCGC00386694-01,
1196723-95-1,
N-(1,3-bis(4-chlorophenyl)-1H-pyrazol-5-yl)-4-butylbenzamide,
|
| Complexity | 582 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.39g/mol |
| Monoisotopic Mass | 463.122g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.9 |
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Certificate of Analysis
Lot Number