| CAS Number | 1181081-71-9 |
| Catalog Number | AG01DZU4(AGN-PC-0WNMXW) |
| Chemical Name | CLP257 |
| IUPAC Name | (5Z)-2-(diazinan-1-yl)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one |
| InChI | InChI=1S/C14H14FN3O2S/c15-10-4-3-9(11(19)8-10)7-12-13(20)17-14(21-12)18-6-2-1-5-16-18/h3-4,7-8,16,19H,1-2,5-6H2/b12-7- |
| InChI Key | SKCADXVKQRCWTR-GHXNOFRVSA-N |
| MDL Number | MFCD28166488 |
| Molecular Formula | C14H14FN3O2S |
| Molecular Weight | 307.3433 |
| SMILES | FC1=CC=C(/C=C2SC(N3NCCCC3)=NC2=O)C(O)=C1 |
| Synonyms | CLP257,
CLP257,
1181081-71-9,
CLP 257,
CLP-257,
SKCADXVKQRCWTR-GHXNOFRVSA-N,
SCHEMBL3397181,
AKOS025142066,
ZINC145492278,
CLP257, >=98% (HPLC),
CS-0033000,
(5Z)-2-(1,2-diazinan-1-yl)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one,
(5Z)-5-[(4-Fluoro-2-hydroxyphenyl)methylene]-2-(tetrahydro-1-(2H)-pyridazinyl)-4(5H)-thiazolone,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 307.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.343g/mol |
| Monoisotopic Mass | 307.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number