N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-cyanophenyl)carbamoyl]phenylalaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-cyanophenyl)carbamoyl]phenylalaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-cyanophenyl)carbamoyl]phenylalaninamide
Compound characteristics
| Compound ID: | V004-8467 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-cyanophenyl)carbamoyl]phenylalaninamide |
| Molecular Weight: | 502.98 |
| Molecular Formula: | C25 H19 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | C(C(C(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)NC(Nc1ccc(C#N)cc1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2277 |
| logD: | 5.2273 |
| logSw: | -5.9013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.915 |
| InChI Key: | ZEQGZJFPWWSSBQ-NRFANRHFSA-N |