N~3~-butyl-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-butyl-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
N~3~-butyl-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
Compound characteristics
| Compound ID: | V024-4323 |
| Compound Name: | N~3~-butyl-N~3~-[(2RS)-2-phenylcyclopropane-1-carbonyl]-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C26 H27 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCCN(CCC(Nc1nnc(c2ccc(cc2)C(F)(F)F)s1)=O)C(C1C[C@H]1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0492 |
| logD: | 6.0489 |
| logSw: | -5.4565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.081 |
| InChI Key: | GVLLQPPGPITZEG-BGERDNNASA-N |