| CAS Number | 1036990-36-9 |
| Catalog Number | AG00HA5V(AGN-PC-0WAY5H) |
| Chemical Name | 1-Ethyl-4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine |
| IUPAC Name | (4-ethylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone |
| InChI | InChI=1S/C19H29BN2O3/c1-6-21-10-12-22(13-11-21)17(23)15-8-7-9-16(14-15)20-24-18(2,3)19(4,5)25-20/h7-9,14H,6,10-13H2,1-5H3 |
| InChI Key | NDFDGLGYGBPOHY-UHFFFAOYSA-N |
| MDL Number | MFCD22415367 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | O=C(N1(CCN(CC)CC1))C2(=CC(=CC=C2)B3(OC(C)(C)C(O3)(C)C)) |
| Synonyms | 1036990-36-9,
1-ethyl-4-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine,
SCHEMBL13336462,
KS-000022OJ,
MFCD22415367,
AKOS025392362,
ZINC202022859,
AS-3144,
[3-(4-Ethylpiperazine-1-carbonyl)phenyl]boronic acid pinacol ester,
1-ethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.262g/mol |
| Monoisotopic Mass | 344.227g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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