1-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[4-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V004-4477 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CC(N2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)=O)C(c2ccc(cc2)[Cl])c2ccsc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8985 |
| logD: | 3.8963 |
| logSw: | -4.7681 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.094 |
| InChI Key: | YTDVTUJGHQRVNB-AREMUKBSSA-N |