ethyl N-(benzenesulfonyl)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl N-(benzenesulfonyl)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoroalaninate
ethyl N-(benzenesulfonyl)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8010-1007 |
| Compound Name: | ethyl N-(benzenesulfonyl)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoroalaninate |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C20 H20 F3 N3 O4 S2 |
| Smiles: | CCOC(C(C(F)(F)F)(Nc1c(C#N)c2CCCCc2s1)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4581 |
| logD: | 2.5973 |
| logSw: | -4.3602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.61 |
| InChI Key: | VWDMSLUJCCPCRE-LJQANCHMSA-N |