| CAS Number | 1261289-04-6 |
| Catalog Number | AG01ENWV(AGN-PC-3H4647) |
| Chemical Name | O-304 |
| IUPAC Name | 4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide |
| InChI | InChI=1S/C16H11Cl2N3O2S/c17-12-5-1-10(2-6-12)9-21-16(23)20-15(24-21)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22,23) |
| InChI Key | WEDWLYRQKUTOAX-UHFFFAOYSA-N |
| MDL Number | MFCD31657425 |
| Molecular Formula | C16H11Cl2N3O2S |
| Molecular Weight | 380.2484 |
| SMILES | O=C1N=C(SN1CC2=CC=C(Cl)C=C2)NC(=O)C3=CC=C(Cl)C=C3 |
| Synonyms | O-304,
1261289-04-6,
SCHEMBL1050337,
BCP29039,
EX-A1990,
HY-112233,
CS-0044210,
O 304,
4-chloro-N-(2-(4-chlorobenzyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)benzamide,
ACN-055560,
O304,
4-chloro-N-[2-[(4-chlorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide,
|
| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.243g/mol |
| Monoisotopic Mass | 378.995g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number