1-[4-(2H-1,3-benzodioxole-5-carbonyl)-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-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-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)-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: | V002-9063 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 521.61 |
| Molecular Formula: | C28 H28 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc2c(c1)OCO2)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0643 |
| logD: | 4.0418 |
| logSw: | -4.1827 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.312 |
| InChI Key: | WGXAQJDBRZLRAY-UHFFFAOYSA-N |