N~3~-[(4-methoxyphenyl)acetyl]-N~3~-(1-phenylethyl)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(4-methoxyphenyl)acetyl]-N~3~-(1-phenylethyl)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
N~3~-[(4-methoxyphenyl)acetyl]-N~3~-(1-phenylethyl)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide
Compound characteristics
| Compound ID: | V025-8397 |
| Compound Name: | N~3~-[(4-methoxyphenyl)acetyl]-N~3~-(1-phenylethyl)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}-beta-alaninamide |
| Molecular Weight: | 568.62 |
| Molecular Formula: | C29 H27 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc(cc2)C(F)(F)F)s1)=O)C(Cc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3407 |
| logD: | 6.3404 |
| logSw: | -5.6198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.959 |
| InChI Key: | WLAFNEKOKXWDRM-IBGZPJMESA-N |