ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-4636 |
| Compound Name: | ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorobenzamido)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 503.93 |
| Molecular Formula: | C21 H21 Cl F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)[Cl])=O)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7837 |
| logD: | 1.6577 |
| logSw: | -4.6878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.054 |
| InChI Key: | BLZZKCBRGHSUPT-HXUWFJFHSA-N |