2-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 8015-3003 |
| Compound Name: | 2-[2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C19 H16 F3 N5 O4 S2 |
| Smiles: | C1CCc2c(C1)c(C(O)=O)c(NC(CSc1nnnn1c1ccc(cc1)OC(F)(F)F)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4844 |
| logD: | 1.5897 |
| logSw: | -4.4737 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.098 |
| InChI Key: | BJTFUJSTHDFOEU-UHFFFAOYSA-N |