5-[3-(4-bromoanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(4-bromoanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[3-(4-bromoanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0578 |
| Compound Name: | 5-[3-(4-bromoanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C18 H15 Br N4 O2 S |
| Smiles: | C(Cc1nnc(C(Nc2ccccc2)=O)s1)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5593 |
| logD: | 3.5591 |
| logSw: | -3.7892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.207 |
| InChI Key: | HXPHLVIGRJJKQU-UHFFFAOYSA-N |