| CAS Number | 1704121-82-3 |
| Catalog Number | AG00ARK8(AGN-PC-0WCTQS) |
| Chemical Name | 2-(4-Ethylpiperazin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide |
| IUPAC Name | 2-(4-ethylpiperazin-1-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C20H32BN3O3/c1-6-23-11-13-24(14-12-23)15-18(25)22-17-9-7-16(8-10-17)21-26-19(2,3)20(4,5)27-21/h7-10H,6,11-15H2,1-5H3,(H,22,25) |
| InChI Key | KYCCHBSDQNQNQW-UHFFFAOYSA-N |
| MDL Number | MFCD28805650 |
| Molecular Formula | C20H32BN3O3 |
| Molecular Weight | 373.2974 |
| SMILES | C(C)N1CCN(CC1)CC(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2-(4-ethylpiperazin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide,
1704121-82-3,
2-(4-ETHYLPIPERAZIN-1-YL)-N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETAMIDE,
MFCD28805650,
AKOS025287021,
ZINC230555786,
AM87916,
AS-55336,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 373.254g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.304g/mol |
| Monoisotopic Mass | 373.254g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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