N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-5454 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide |
| Molecular Weight: | 427.83 |
| Molecular Formula: | C15 H17 Cl F3 N3 O4 S |
| Smiles: | C1CS(CC1NC(NCCC(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3281 |
| logD: | 1.2705 |
| logSw: | -3.0398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.339 |
| InChI Key: | HRUZFPATMYDZMD-JTQLQIEISA-N |