| CAS Number | 182120-85-0 |
| Catalog Number | AG01BVOC(AGN-PC-0QC549) |
| Chemical Name | 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C20H16N2O4S/c23-19(24)17-11-27-18(22-17)9-21-20(25)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2,(H,21,25)(H,23,24) |
| InChI Key | HAICMYLWDHNVBL-UHFFFAOYSA-N |
| MDL Number | MFCD21763308 |
| Molecular Formula | C20H16N2O4S |
| Molecular Weight | 380.4170 |
| SMILES | OC(C1N=C(CNC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)SC=1)=O |
| Synonyms | 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1,3-thiazole-4-carboxylic acid,
182120-85-0,
SCHEMBL3586605,
ZINC97658109,
AKOS015723830,
Z1805585733,
2-(9H-Fluorene-9-ylmethoxycarbonylaminomethyl)thiazole-4-carboxylic acid,
CID11406357,
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-thiazole-4-carboxylic Acid,
|
| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 380.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.418g/mol |
| Monoisotopic Mass | 380.083g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number