2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V025-2107 |
| Compound Name: | 2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 545.6 |
| Molecular Formula: | C28 H27 F4 N3 O2 S |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)C(F)(F)F)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0987 |
| logD: | 5.0762 |
| logSw: | -5.006 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.197 |
| InChI Key: | NXHUNWCETGAFHL-UHFFFAOYSA-N |