| CAS Number | 402567-86-6 |
| Catalog Number | AG00CJA3(AGN-PC-0M722H) |
| Chemical Name | ETHYL 2,4-DIPHENYL-1,3-THIAZOLE-5-CARBOXYLATE |
| IUPAC Name | ethyl 2,4-diphenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C18H15NO2S/c1-2-21-18(20)16-15(13-9-5-3-6-10-13)19-17(22-16)14-11-7-4-8-12-14/h3-12H,2H2,1H3 |
| InChI Key | DOPBEPYJIQAQLB-UHFFFAOYSA-N |
| MDL Number | MFCD07348752 |
| Molecular Formula | C18H15NO2S |
| Molecular Weight | 309.3822 |
| SMILES | C1(=CC=CC=C1)C=1SC(=C(N1)C1=CC=CC=C1)C(=O)OCC |
| Synonyms | ethyl 2,4-diphenyl-1,3-thiazole-5-carboxylate,
402567-86-6,
ethyl 2,4-diphenylthiazole-5-carboxylate,
AC1OY2MS,
SCHEMBL4503056,
DOPBEPYJIQAQLB-UHFFFAOYSA-N,
ZINC6604273,
AKOS033030343,
MCULE-2397924291,
2,4-Diphenylthiazole-5-carboxylic acid ethyl ester,
Z108567108,
ZINC06604273,
CID8009254,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.383g/mol |
| Monoisotopic Mass | 309.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number