5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0531 |
| Compound Name: | 5-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9 |
| logD: | 3.8998 |
| logSw: | -3.9931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.207 |
| InChI Key: | PWEFQXJCLXQUFK-UHFFFAOYSA-N |