methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
Chemical Structure Depiction of
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
Compound characteristics
| Compound ID: | 8019-0953 |
| Compound Name: | methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C21 H20 F3 N3 O3 S |
| Smiles: | COC(C(C(F)(F)F)(NC(Cc1ccccc1)=O)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2437 |
| logD: | 3.7846 |
| logSw: | -4.5532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.258 |
| InChI Key: | UHXDRWGRMOBQEE-HXUWFJFHSA-N |