ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(3-fluorobenzamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(3-fluorobenzamido)alaninate
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(3-fluorobenzamido)alaninate
Compound characteristics
| Compound ID: | 8010-4077 |
| Compound Name: | ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(3-fluorobenzamido)alaninate |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C21 H21 F4 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1cccc(c1)F)=O)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2436 |
| logD: | 1.1176 |
| logSw: | -3.6206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.054 |
| InChI Key: | MMTCYLHPOYKDDL-HXUWFJFHSA-N |