| CAS Number | 957198-23-1 |
| Catalog Number | AG01EB40(AGN-PC-0H931Q) |
| Chemical Name | 1-Piperazineethanesulfonamide, 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 2-(4-methylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide |
| InChI | InChI=1S/C19H32BN3O4S/c1-18(2)19(3,4)27-20(26-18)16-6-8-17(9-7-16)21-28(24,25)15-14-23-12-10-22(5)11-13-23/h6-9,21H,10-15H2,1-5H3 |
| InChI Key | CXLMKSSOLPDPKT-UHFFFAOYSA-N |
| MDL Number | MFCD31916436 |
| Molecular Formula | C19H32BN3O4S |
| Molecular Weight | 409.3511 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC=C(NS(CCN3CCN(C)CC3)(=O)=O)C=C2 |
| Synonyms | 957198-23-1,
SCHEMBL1601710,
AS-55451,
1-Piperazineethanesulfonamide, 4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
2-(4-methylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide,
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| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.352g/mol |
| Monoisotopic Mass | 409.221g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number