methyl 2-{[6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino}benzoate
methyl 2-{[6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 4488-1769 |
| Compound Name: | methyl 2-{[6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino}benzoate |
| Molecular Weight: | 482.52 |
| Molecular Formula: | C23 H25 F3 N2 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C(Nc3ccccc3C(=O)OC)=O)c(NC(C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.784 |
| logD: | 2.2557 |
| logSw: | -5.5689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.883 |
| InChI Key: | VYCBAOJSEFWXRN-GFCCVEGCSA-N |