methyl 2-{[2-(dimethylcarbamamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(dimethylcarbamamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(dimethylcarbamamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-8601 |
| Compound Name: | methyl 2-{[2-(dimethylcarbamamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C19 H26 F3 N3 O5 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(N(C)C)=O)Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8242 |
| logD: | 2.6585 |
| logSw: | -4.0931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.23 |
| InChI Key: | HOUUXZAGRZMRMD-SFHVURJKSA-N |