N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5,5-trimethylhexanoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5,5-trimethylhexanoyl)phenylalaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5,5-trimethylhexanoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V016-5693 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5,5-trimethylhexanoyl)phenylalaninamide |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C26 H31 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(CC(NC(Cc1ccccc1)C(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)=O)CC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8931 |
| logD: | 6.8922 |
| logSw: | -6.3151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.705 |
| InChI Key: | MMLGZQLYZOZRBD-UHFFFAOYSA-N |