ethyl N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-chlorobenzamido)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-chlorobenzamido)-3,3,3-trifluoroalaninate
ethyl N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-chlorobenzamido)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-8321 |
| Compound Name: | ethyl N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-chlorobenzamido)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 489.9 |
| Molecular Formula: | C20 H19 Cl F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccccc1[Cl])=O)Nc1c(C(N)=O)c2CCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1658 |
| logD: | 0.999 |
| logSw: | -3.8875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.42 |
| InChI Key: | XJKGAQZYFNGUAM-LJQANCHMSA-N |