ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Compound characteristics
| Compound ID: | 8009-9471 |
| Compound Name: | ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate |
| Molecular Weight: | 441.43 |
| Molecular Formula: | C19 H18 F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccco1)=O)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0763 |
| logD: | 3.2887 |
| logSw: | -4.1691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.63 |
| InChI Key: | RMHPGWUWSKEMFO-GOSISDBHSA-N |