methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanamido)propan-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-(2-methylpropanamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4236 |
| Compound Name: | methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 446.41 |
| Molecular Formula: | C17 H20 F6 N2 O3 S |
| Smiles: | CC(C)C(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7991 |
| logD: | -0.2094 |
| logSw: | -4.6423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.687 |
| InChI Key: | IUHBGLFKWCHFCQ-UHFFFAOYSA-N |