| CAS Number | 1000932-68-2 |
| Catalog Number | AG019LB8 |
| Chemical Name | tert-Butyl N-{4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl}carbamate |
| IUPAC Name | tert-butyl N-[4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl]carbamate |
| InChI | InChI=1S/C18H25N3O4/c1-18(2,3)25-17(24)19-15-6-4-14(5-7-15)12-16(23)21-10-8-20(13-22)9-11-21/h4-7,13H,8-12H2,1-3H3,(H,19,24) |
| InChI Key | WYVUZRZEPKMPFX-UHFFFAOYSA-N |
| MDL Number | MFCD09863392 |
| Molecular Formula | C18H25N3O4 |
| Molecular Weight | 347.4088 |
| SMILES | CC(OC(NC1=CC=C(CC(N2CCN(C=O)CC2)=O)C=C1)=O)(C)C |
| Synonyms | tert-butyl N-{4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenyl}carbamate,
1000932-68-2,
tert-butyl 4-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]phenylcarbamate,
AC1Q1NA4,
CTK7I1494,
ZINC20281559,
AKOS034166403,
MCULE-4851240501,
NE24530,
EN300-30676,
Z317046452,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.415g/mol |
| Monoisotopic Mass | 347.185g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number