methyl 2-({3-ethoxy-2-[(ethoxycarbonyl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({3-ethoxy-2-[(ethoxycarbonyl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({3-ethoxy-2-[(ethoxycarbonyl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9472 |
| Compound Name: | methyl 2-({3-ethoxy-2-[(ethoxycarbonyl)amino]-1,1,1-trifluoro-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 452.45 |
| Molecular Formula: | C18 H23 F3 N2 O6 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(=O)OCC)Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.119 |
| logD: | 3.5214 |
| logSw: | -4.1554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.522 |
| InChI Key: | VPVVNMFEISWAQF-KRWDZBQOSA-N |