N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | V002-1182 |
| Compound Name: | N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N~3~-[(phenylsulfanyl)acetyl]-beta-alaninamide |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C24 H28 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCCN(CCC(Nc1nnc(c2ccc(C)cc2)s1)=O)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2031 |
| logD: | 5.2028 |
| logSw: | -4.9279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.302 |
| InChI Key: | NBYLERXEQYLPJG-UHFFFAOYSA-N |