| CAS Number | 1184940-46-2 |
| Catalog Number | AG008TFT |
| Chemical Name | (alphaS)-3,5-difluoro-alpha-hydroxybenzeneacetic acid 2-(2-ethyl-4-hydroxy-3-methylbenzoyl)hydrazide |
| IUPAC Name | N'-[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide |
| InChI | InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)/t16-/m0/s1 |
| InChI Key | SSNAPUUWBPZGOY-INIZCTEOSA-N |
| MDL Number | MFCD22417083 |
| Molecular Formula | C18H18F2N2O4 |
| Molecular Weight | 364.3433 |
| SMILES | C1(O)C(C)=C(CC)C(C(NNC(=O)[C@@H](O)C2C=C(F)C=C(F)C=2)=O)=CC=1 |
| Synonyms | EMD638683 (S-Form),
1184940-46-2,
EMD638683 S-Form,
C18H18F2N2O4,
SCHEMBL880168,
DTXSID50735350,
3610AH,
HY-15193B,
ZINC43206986,
AKOS030526291,
CS-0660,
W-5915,
EMD 638683 (S-Form);EMD-638683 (S-Form),
N'-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide,
(alphaS)-3,5-difluoro-alpha-hydroxybenzeneacetic acid 2-(2-ethyl-4-hydroxy-3-methylbenzoyl)hydrazide,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.349g/mol |
| Monoisotopic Mass | 364.123g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number