ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0052 |
| Compound Name: | ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C21 H24 F3 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Cn1c2CCCCc2c(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5038 |
| logD: | 2.1573 |
| logSw: | -4.2723 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.237 |
| InChI Key: | PXWHYLJFNBTFEG-UHFFFAOYSA-N |