| CAS Number | 1508208-26-1 |
| Catalog Number | AG01EKFG |
| Chemical Name | 2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C21H18N2O4S/c24-20(25)18-12-28-19(23-18)9-10-22-21(26)27-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,22,26)(H,24,25) |
| InChI Key | NEYKGMWFAPTGND-UHFFFAOYSA-N |
| MDL Number | MFCD21763558 |
| Molecular Formula | C21H18N2O4S |
| Molecular Weight | 394.4436 |
| SMILES | OC(C1N=C(CCNC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)SC=1)=O |
| Synonyms | AKOS015717428,
2-(2-([(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO)ETHYL)-1,3-THIAZOLE-4-CARBO+,
1508208-26-1,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.445g/mol |
| Monoisotopic Mass | 394.099g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number