methyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
Chemical Structure Depiction of
methyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
methyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
Compound characteristics
| Compound ID: | 8009-4711 |
| Compound Name: | methyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate |
| Molecular Weight: | 471.43 |
| Molecular Formula: | C20 H17 F4 N3 O4 S |
| Smiles: | COC(C(C(F)(F)F)(NC(Nc1c(C#N)c2CCCCc2s1)=O)Oc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9157 |
| logD: | 4.8208 |
| logSw: | -4.7118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.458 |
| InChI Key: | YFEOYGIBLXQNPQ-LJQANCHMSA-N |