| CAS Number | 1256375-38-8 |
| Catalog Number | AG009BNG |
| Chemical Name | JGB1741 |
| IUPAC Name | N-benzyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| InChI | InChI=1S/C27H24N2O2S/c30-23-15-14-19-10-4-5-11-20(19)22(23)17-29-27-25(21-12-6-7-13-24(21)32-27)26(31)28-16-18-8-2-1-3-9-18/h1-5,8-11,14-15,17,30H,6-7,12-13,16H2,(H,28,31)/b29-17+ |
| InChI Key | CRTIXRJWHKMWCH-STBIYBPSSA-N |
| MDL Number | MFCD08669697 |
| Molecular Formula | C27H24N2O2S |
| Molecular Weight | 440.5567 |
| SMILES | OC1=C(/C=N/C2=C(C(NCC3=CC=CC=C3)=O)C(CCCC4)=C4S2)C(C=CC=C5)=C5C=C1 |
| Synonyms | JGB 1741,
JGB-1741,
JGB1741,
JGB1741,
1256375-38-8,
CCG-208691,
FWUWBVFRROBPPF-XLNRJJMWSA-N,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 440.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.561g/mol |
| Monoisotopic Mass | 440.156g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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Certificate of Analysis
Lot Number