methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-methoxybenzamido)alaninate
Chemical Structure Depiction of
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-methoxybenzamido)alaninate
methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-methoxybenzamido)alaninate
Compound characteristics
| Compound ID: | 8012-1246 |
| Compound Name: | methyl N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(4-methoxybenzamido)alaninate |
| Molecular Weight: | 523.57 |
| Molecular Formula: | C25 H28 F3 N3 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3ccc(cc3)OC)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9213 |
| logD: | 5.0091 |
| logSw: | -5.5944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.016 |
| InChI Key: | BHSHQFHLRUBLPQ-UHFFFAOYSA-N |