2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)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-nitrobenzoyl)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-nitrobenzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V002-9016 |
| Compound Name: | 2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 522.6 |
| Molecular Formula: | C27 H27 F N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1516 |
| logD: | 4.1291 |
| logSw: | -4.2317 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.578 |
| InChI Key: | PFYMMPAQDXQOMJ-UHFFFAOYSA-N |