1-[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V025-2140 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]-3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H30 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc2c(c1)OCO2)=O)C(CCN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2574 |
| logD: | 3.8554 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.291 |
| InChI Key: | VGEXOGXIAHRGMT-UHFFFAOYSA-N |