1-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-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-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V029-8981 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C27 H26 F N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CC(N2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)=O)C(c2cccc(c2)F)c2ccsc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3898 |
| logD: | 3.3854 |
| logSw: | -3.7443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.094 |
| InChI Key: | ONLZQKPZFWIAQW-AREMUKBSSA-N |