1-{4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazin-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
1-{4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazin-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-{4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazin-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V001-4814 |
| Compound Name: | 1-{4-[3,5-bis(trifluoromethyl)benzoyl]-3-methylpiperazin-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 613.6 |
| Molecular Formula: | C29 H26 F7 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9344 |
| logD: | 5.9119 |
| logSw: | -5.6185 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.197 |
| InChI Key: | VHAXUNRWSMNADH-UHFFFAOYSA-N |