| CAS Number | 952849-76-2 |
| Catalog Number | AG01DTTY(AGN-PC-017824) |
| Chemical Name | 5-bromo-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide |
| IUPAC Name | 5-bromo-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide |
| InChI | InChI=1S/C14H10BrN3O2S/c1-8-2-4-9(5-3-8)13-17-18-14(20-13)16-12(19)10-6-7-11(15)21-10/h2-7H,1H3,(H,16,18,19) |
| InChI Key | QKSDWSBGDVYRKQ-UHFFFAOYSA-N |
| MDL Number | MFCD14042211 |
| Molecular Formula | C14H10BrN3O2S |
| Molecular Weight | 364.2171 |
| SMILES | BrC1=CC=C(S1)C(=O)NC=1OC(=NN1)C1=CC=C(C=C1)C |
| Synonyms | KKL-10,
952849-76-2,
5-bromo-N-(5-(p-tolyl)-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide,
5-bromo-N-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide,
SCHEMBL17717028,
BCP28965,
ZINC12515229,
CS-6883,
HY-101865,
F2473-0404,
5-bromo-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.217g/mol |
| Monoisotopic Mass | 362.968g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number