N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-butoxybenzoyl)isoleucinamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-butoxybenzoyl)isoleucinamide
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-butoxybenzoyl)isoleucinamide
Compound characteristics
| Compound ID: | V017-4399 |
| Compound Name: | N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-butoxybenzoyl)isoleucinamide |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C25 H29 Br N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(NC(C(C)CC)C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1301 |
| logD: | 7.1298 |
| logSw: | -5.6151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.058 |
| InChI Key: | GZENAQCIPQMVFT-UHFFFAOYSA-N |