| CAS Number | 1373879-28-7 |
| Catalog Number | AG009WR8(AGN-PC-0WQWT8) |
| Chemical Name | tert-Butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-10-8-12(9-11-19)15-18-13-6-4-5-7-14(13)22-15/h4-7,12H,8-11H2,1-3H3 |
| InChI Key | RTBLGLFTLCLKRV-UHFFFAOYSA-N |
| MDL Number | MFCD21105859 |
| Molecular Formula | C17H22N2O2S |
| Molecular Weight | 318.4338 |
| SMILES | O=C(N1CCC(C2=NC3=CC=CC=C3S2)CC1)OC(C)(C)C |
| Synonyms | 1373879-28-7,
tert-butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate,
tert-Butyl 4-(benzo[d]thiazol-2-yl)piperidine-1-carboxylate,
SCHEMBL17141939,
ZINC82608898,
AKOS013101951,
V2722,
C17H22N2O2S,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.435g/mol |
| Monoisotopic Mass | 318.14g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number