N~3~-[(benzyloxy)acetyl]-N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(benzyloxy)acetyl]-N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
N~3~-[(benzyloxy)acetyl]-N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | V025-7193 |
| Compound Name: | N~3~-[(benzyloxy)acetyl]-N~3~-butyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-beta-alaninamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CCCCN(CCC(Nc1nnc(c2ccc(C)cc2)s1)=O)C(COCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5486 |
| logD: | 4.5483 |
| logSw: | -4.2687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.736 |
| InChI Key: | MIQHPNMXBXKDBU-UHFFFAOYSA-N |