N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | V026-9172 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-(1-phenylethyl)-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide |
| Molecular Weight: | 537.1 |
| Molecular Formula: | C27 H25 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(CSc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.326 |
| logD: | 6.3256 |
| logSw: | -6.2844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.416 |
| InChI Key: | ARXVBEMLFNOPJK-IBGZPJMESA-N |