| CAS Number | 2137785-49-8 |
| Catalog Number | AG01EL2C |
| Chemical Name | 2-[1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-pyrrolidinyl]-4-thiazolecarboxylic acid |
| IUPAC Name | 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C23H20N2O4S/c26-22(27)19-13-30-21(24-19)20-10-5-11-25(20)23(28)29-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,13,18,20H,5,10-12H2,(H,26,27) |
| InChI Key | KSLNOXVCFIIJDR-UHFFFAOYSA-N |
| MDL Number | MFCD31615469 |
| Molecular Formula | C23H20N2O4S |
| Molecular Weight | 420.4809 |
| SMILES | OC(C1N=C(C2N(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CCC2)SC=1)=O |
| Synonyms | 2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl)-1,3-thiazole-4-carboxylic acid,
2137785-49-8,
|
| Complexity | 639 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 420.483g/mol |
| Monoisotopic Mass | 420.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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