| CAS Number | 1259028-99-3 |
| Catalog Number | AG00IMDT(AGN-PC-0WP08L) |
| Chemical Name | BTT 3033 |
| IUPAC Name | 1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea |
| InChI | InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30) |
| InChI Key | NSLIQOPYDUKWTA-UHFFFAOYSA-N |
| MDL Number | MFCD28166480 |
| Molecular Formula | C23H20FN5O3S |
| Molecular Weight | 465.5000 |
| SMILES | S(=O)(=O)(N(C)c1ccc(cc1)NC(=O)Nc1ccccc1)c1cn(nc1)c1ccc(cc1)F |
| Synonyms | BTT 3033,
1259028-99-3,
1-(4-Fluorophenyl)-N-methyl-N-(4-(3-phenylureido)phenyl)-1H-pyrazole-4-sulfonamide,
SCHEMBL3461043,
MFCD28166480,
AKOS025142020,
ZINC143275972,
NCGC00387187-01,
B5415,
1-(4-Fluoro-phenyl)-1H-pyrazole-4-sulfonic acid methyl-[4-(3-phenyl-ureido)-phenyl]-amide,
1-(4-Fluorophenyl)-N-methyl-N-[4[[(phenylamino)carbonyl]amino]phenyl]-1H-pyrazole-4-sulfonamide,
NSLIQOPYDUKWTA-UHFFFAOYSA-N,
|
| Complexity | 742 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.503g/mol |
| Monoisotopic Mass | 465.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number