methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Chemical Structure Depiction of
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Compound characteristics
| Compound ID: | 8011-9064 |
| Compound Name: | methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate |
| Molecular Weight: | 403.42 |
| Molecular Formula: | C17 H20 F3 N3 O3 S |
| Smiles: | CCC(NC(C(=O)OC)(C(F)(F)F)Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6668 |
| logD: | 3.2972 |
| logSw: | -4.152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.53 |
| InChI Key: | XJBHKFGDYYYTGN-UHFFFAOYSA-N |