methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4238 |
| Compound Name: | methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C18 H22 F6 N2 O3 S |
| Smiles: | CCCCC(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0133 |
| logD: | 0.0047 |
| logSw: | -4.7659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.474 |
| InChI Key: | HKZNQXQSZHOPIJ-UHFFFAOYSA-N |