| CAS Number | 1025821-33-3 |
| Catalog Number | AG01ENHC(AGN-PC-3H45M9) |
| Chemical Name | (5Z)-2-[(2,6-Dichlorophenyl)amino]-5-(6-quinoxalinylmethylene)-4(5H)-thiazolone |
| IUPAC Name | (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9- |
| InChI Key | RJPNRXFBYZVRIB-DHDCSXOGSA-N |
| MDL Number | MFCD31689261 |
| Molecular Formula | C18H10Cl2N4OS |
| Molecular Weight | 401.2692 |
| SMILES | C(=C1/SC(=NC1=O)Nc1c(Cl)cccc1Cl)/c1cc2c(cc1)nccn2 |
| UNII | OKY0RM282V |
| Synonyms | UNII-OKY0RM282V,
OKY0RM282V,
1025821-33-3,
GSK 626616,
GSK-626616,
(5Z)-2-[(2,6-Dichlorophenyl)amino]-5-(6-quinoxalinylmethylene)-4(5H)-thiazolone,
SCHEMBL2993698,
SCHEMBL13041788,
(5Z)-2-(2,6-Dichloroanilino)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolone,
4(5H)-Thiazolone, 2-((2,6-dichlorophenyl)amino)-5-(6-quinoxalinylmethylene)-, (5Z)-,
RJPNRXFBYZVRIB-DHDCSXOGSA-N,
|
| Complexity | 604 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 399.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.265g/mol |
| Monoisotopic Mass | 399.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number