N~3~-butyl-N~3~-[(4-chlorophenoxy)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-butyl-N~3~-[(4-chlorophenoxy)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
N~3~-butyl-N~3~-[(4-chlorophenoxy)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | V015-5093 |
| Compound Name: | N~3~-butyl-N~3~-[(4-chlorophenoxy)acetyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 472.99 |
| Molecular Formula: | C23 H25 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCCN(CCC(Nc1nnc(c2ccccc2)s1)=O)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5675 |
| logD: | 4.5672 |
| logSw: | -4.6717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.801 |
| InChI Key: | WRKWFEZSTFBQIQ-UHFFFAOYSA-N |