N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-N~3~-propyl-beta-alaninamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-N~3~-propyl-beta-alaninamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-N~3~-propyl-beta-alaninamide
Compound characteristics
| Compound ID: | V026-3901 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-N~3~-propyl-beta-alaninamide |
| Molecular Weight: | 475.03 |
| Molecular Formula: | C22 H23 Cl N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCN(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8429 |
| logD: | 4.8426 |
| logSw: | -4.9119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.302 |
| InChI Key: | WMDVNYYKRDZCMW-UHFFFAOYSA-N |