N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2-chloropropanoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2-chloropropanoyl)phenylalaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2-chloropropanoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V016-5794 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2-chloropropanoyl)phenylalaninamide |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H18 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(NC(Cc1ccccc1)C(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7499 |
| logD: | 4.7489 |
| logSw: | -4.9567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.918 |
| InChI Key: | OJWQRHALSQOHPJ-UHFFFAOYSA-N |