3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | V002-7993 |
| Compound Name: | 3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C28 H29 F N4 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)C(CCN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3447 |
| logD: | 3.9427 |
| logSw: | -4.3287 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.557 |
| InChI Key: | KXAWJBRZRJIFMH-UHFFFAOYSA-N |