methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Chemical Structure Depiction of
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
methyl N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]alaninate
Compound characteristics
| Compound ID: | 8012-1244 |
| Compound Name: | methyl N-(3-cyano-6-methyl-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: | CC1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3ccco3)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0881 |
| logD: | 3.3006 |
| logSw: | -4.3705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.05 |
| InChI Key: | SOXHNLBSXAJLRC-UHFFFAOYSA-N |