ethyl 2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4676-1071 |
| Compound Name: | ethyl 2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C22 H21 F3 N2 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CC1C(Nc2cc(ccc2S1)C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0781 |
| logD: | 2.1463 |
| logSw: | -5.0084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.463 |
| InChI Key: | CETRVVOWXTWANO-INIZCTEOSA-N |