methyl 2-acetamido-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
methyl 2-acetamido-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 3448-8329 |
| Compound Name: | methyl 2-acetamido-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 375.37 |
| Molecular Formula: | C15 H16 F3 N3 O3 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7306 |
| logD: | 2.3609 |
| logSw: | -3.0669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.643 |
| InChI Key: | DSMCVJNGBHTKCU-CQSZACIVSA-N |