N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-butylbenzoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-butylbenzoyl)phenylalaninamide
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-butylbenzoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V009-0098 |
| Compound Name: | N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-butylbenzoyl)phenylalaninamide |
| Molecular Weight: | 563.52 |
| Molecular Formula: | C28 H27 Br N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(NC(Cc1ccccc1)C(Nc1nnc(c2cccc(c2)[Br])s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6302 |
| logD: | 7.6296 |
| logSw: | -5.701 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.647 |
| InChI Key: | VCZZHSUACPXDQL-DEOSSOPVSA-N |